Mrv1909 12012118522D          

 42 47  0  0  0  0            999 V2000
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    0.4156   -2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -3.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -3.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2406   -2.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -3.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -0.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -3.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -3.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    2.5309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658    1.3687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    1.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309    3.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698    0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7418    0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075    1.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7238    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592    1.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0079   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9723    2.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    1.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495    0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -1.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 42  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
 42  7  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
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  4  5  2  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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  2 41  1  0  0  0  0
 30 14  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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 31 35  1  0  0  0  0
 40 35  2  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 41  1  0  0  0  0
  8 42  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08822

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)

> <INCHI_KEY>
QJFSABGVXDWMIW-UHFFFAOYSA-N

> <FORMULA>
C30H24N4O8

> <MOLECULAR_WEIGHT>
568.5336

> <EXACT_MASS>
568.159413764

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9690065963641501

> <JCHEM_AVERAGE_POLARIZABILITY>
57.39923094069682

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate

> <ALOGPS_LOGP>
4.94

> <JCHEM_LOGP>
6.0344982279999995

> <ALOGPS_LOGS>
-4.91

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.910083320813136

> <JCHEM_PKA_STRONGEST_BASIC>
1.4754854407819347

> <JCHEM_POLAR_SURFACE_AREA>
139.57000000000002

> <JCHEM_REFRACTIVITY>
149.51829999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
azilsartan medoxomil

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08822

> <SECONDARY_ACCESSION_NUMBERS>
DB05358

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Azilsartan medoxomil

> <SYNONYMS>
Azilsartan; Azilsartan médoxomil; Azilsartan medoxomil; Azilsartán medoxomilo; Azilsartanum medoxomilum

> <PRODUCTS>
Edarbi; Edarbyclor

> <SALTS>
Azilsartan medoxomil potassium

$$$$