Mrv1652312081619462D          

 20 19  0  0  1  0            999 V2000
   -0.4287    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2858    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6260   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9115    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0549   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0549   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001324

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@H](N)CC1=CC=CC=C1.OC(=O)CCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N.C6H10O4/c1-8(10)7-9-5-3-2-4-6-9;7-5(8)3-1-2-4-6(9)10/h2-6,8H,7,10H2,1H3;1-4H2,(H,7,8)(H,9,10)/t8-;/m0./s1

> <INCHI_KEY>
OFCJKOOVFDGTLY-QRPNPIFTSA-N

> <FORMULA>
C15H23NO4

> <MOLECULAR_WEIGHT>
281.352

> <EXACT_MASS>
281.162708225

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
16.079369291546314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-1-phenylpropan-2-amine; hexanedioic acid

> <ALOGPS_LOGP>
0.13

> <JCHEM_LOGP>
1.8042504816666665

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.01443581771614

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
43.705200000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.22e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adipic acid; amphetamine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001324

> <NAME>
Dextroamphetamine adipate

> <DRUG_DRUGBANK_ID>
DB01576

> <DRUG_NAME>
Dextroamphetamine

> <CAS_NUMBER>
64770-52-1

> <UNII>
YYI1A8W4TQ

$$$$