Mrv1652306031606012D          

 36 37  0  0  1  0            999 V2000
   -0.3680   10.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695   11.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    7.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971    6.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5984   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6248   13.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310   12.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    9.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    7.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    9.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570   10.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971    7.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839   10.8659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0109   13.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5629   13.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2658   12.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945   10.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260    7.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080   14.7707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3699   13.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728   12.4168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859   13.3729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5984   12.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070   10.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260    6.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    8.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    9.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405    7.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839   10.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445    8.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    7.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8695   10.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116    7.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    8.8034    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839   11.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  6  0  0  0
 14  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  2  0  0  0  0
 21 16  1  0  0  0  0
 22  7  1  0  0  0  0
 22 17  2  0  0  0  0
 23  8  2  0  0  0  0
 23 15  1  0  0  0  0
 24  6  1  0  0  0  0
 24  8  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 19  2  0  0  0  0
 28  9  1  0  0  0  0
 28 18  1  0  0  0  0
 29 10  1  0  0  0  0
 29 19  1  0  0  0  0
 30 11  1  0  0  0  0
 30 14  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 12  1  0  0  0  0
 33 18  1  0  0  0  0
 34 13  1  0  0  0  0
 34 19  1  0  0  0  0
 35 11  1  0  0  0  0
 35 27  2  0  0  0  0
 35 31  1  0  0  0  0
 35 32  1  0  0  0  0
 14 36  1  1  0  0  0
M  END
> <DATABASE_ID>
DB00300

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1

> <INCHI_KEY>
JFVZFKDSXNQEJW-CQSZACIVSA-N

> <FORMULA>
C19H30N5O10P

> <MOLECULAR_WEIGHT>
519.448

> <EXACT_MASS>
519.173029184

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
49.18319919129011

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis({[(propan-2-yloxy)carbonyl]oxy}methyl) {[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methanephosphonate

> <ALOGPS_LOGP>
-0.02

> <JCHEM_LOGP>
2.6530509223333336

> <ALOGPS_LOGS>
-2.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.587571950124826

> <JCHEM_PKA_STRONGEST_BASIC>
4.130678051559021

> <JCHEM_POLAR_SURFACE_AREA>
185.4399999999999

> <JCHEM_REFRACTIVITY>
118.58819999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pmpa prodrug

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00300

> <SECONDARY_ACCESSION_NUMBERS>
APRD01248; DB13426

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Tenofovir disoproxil

> <SYNONYMS>
Bis(POC)PMPA; Tenofovir bis(isopropyloxycarbonyloxymethyl) ester

> <PRODUCTS>
Ag-emtricitabine / Tenofovir Disoproxil Fumarate; Ag-tenofovir; Apo-efavirenz-emtricitabine-tenofovir; Apo-emtricitabine-tenofovir; Apo-tenofovir; Atripla; Atripla Access; Auro-efavirenz-emtricitabine-tenofovir; Auro-emtricitabine-tenofovir; Auro-tenofovir; COMPLERA Access; Cimduo; Complera; Delstrigo; Efavirenz, Emtricitabine And Tenofovir Disoproxil Fumarate; Efavirenz, Emtricitabine and Tenofovir Disoproxil Fumarate; Efavirenz, Lamivudine and Tenofovir Disoproxil Fumarate; Efavirenz, emtricitabine and tenofovir disoproxil fumarate; Efavirenz/emtricita Bine/tenofovir Disoproxil Mylan; Efavirenz/emtricitabine/ Tenofovir Disoproxil Krka; Efavirenz/emtricitabine/ Tenofovir Disoproxil Zentiva; Emtricitabine and Tenofovir Disoproxil Fumarate; Emtricitabine and tenofovir disoproxil fumarate; Emtricitabine/TDF; Emtricitabine/ten Ofovir Disoproxil Mylan; Emtricitabine/teno Fovir Disoproxil Krka; Emtricitabine/teno Fovir Disoproxil Krka D.D.; Emtricitabine/tenofovir Disoproxil Mylan; Emtricitabine/tenofovir Disoproxil Zentiva; Eviplera; Jamp Efavirenz/emtricitabine/tenofovir Disoproxil Fumarate; Jamp Emtricitabine/tenofovir Disoproxil Fumarate; Jamp-tenofovir; Mint-emtricitabine/tenofovir; Mint-tenofovir; Mylan-efavirenz/emtricitabine/tenofovir Disoproxil Fumarate; Mylan-emtricitabine/tenofovir Disoproxil; Mylan-tenofovir Disoproxil; Nat-tenofovir; PMS-efavirenz-emtricitabine-tenofovir; PMS-emtricitabine-tenofovir; PMS-tenofovir; Riva-efavirenz/emtricitabine/tenofovir; Riva-tenofovir; Sandoz Efavirenz/emtricitabine/tenofovir; Sandoz Emtricitabine-tenofovir; Stribild; Stribild Access; Symfi; Symfi Lo; Temixys; Tenofovir; Tenofovir Disoproxil Fumarate; Tenofovir Disoproxil Mylan; Tenofovir Disoproxil Zentiva; Tenofovir Disproxil Fumarate; Tenofovir disoproxil fumarate; Teva-efavirenz/emtricitabine/tenofovir; Teva-emtricitabine/tenofovir; Teva-tenofovir; Truvada; Truvada Access; Viread; Viread Access

> <SALTS>
Tenofovir disoproxil fumarate; Tenofovir disoproxil maleate; Tenofovir disoproxil phosphate; Tenofovir disoproxil succinate

$$$$