Mrv0541 08221313352D          

 12 13  0  0  0  0            999 V2000
   -1.1609   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -0.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596   -0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572   -0.2441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
 10  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
 10  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  6  1  0  0  0  0
  8  3  1  0  0  0  0
  7  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000203

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NC12CC3CC(CC(C3)C1)C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H

> <INCHI_KEY>
WOLHOYHSEKDWQH-UHFFFAOYSA-N

> <FORMULA>
C10H18ClN

> <MOLECULAR_WEIGHT>
187.71

> <EXACT_MASS>
187.112777288

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9998058943528917

> <JCHEM_AVERAGE_POLARIZABILITY>
17.91749615885253

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
adamantan-1-amine hydrochloride

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
1.4659475483333333

> <ALOGPS_LOGS>
-3.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.711877522320835

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
45.535599999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.46e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000203

> <NAME>
Amantadine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00915

> <DRUG_NAME>
Amantadine

> <CAS_NUMBER>
665-66-7

> <UNII>
M6Q1EO9TD0

$$$$