915
  Mrv0541 02231215062D          

 11 13  0  0  0  0            999 V2000
    3.1364    1.3022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -0.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364   -1.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00915

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
DKNWSYNQZKUICI-UHFFFAOYSA-N

> <FORMULA>
C10H17N

> <MOLECULAR_WEIGHT>
151.2487

> <EXACT_MASS>
151.136099549

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9998058943528917

> <JCHEM_AVERAGE_POLARIZABILITY>
17.917499071178128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
adamantan-1-amine

> <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>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00915

> <SECONDARY_ACCESSION_NUMBERS>
APRD00787

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Amantadine

> <SYNONYMS>
1-adamantanamine; 1-adamantylamine; 1-aminoadamantane; Amantadina; Amantadine; Amantadinum; Amantidine; Aminoadamantane

> <PRODUCTS>
Amantadine; Amantadine HCL; Amantadine HCl; Amantadine Hydrochloride; Amantadine hydrochloride; Dom-amantadine Hydrochloride Capsules-100mg; Endantadine; Endantadine Cap 100mg; Gapeam Budibac; Gocovri; Innoprax-5; Med-amantidine - Cap 100mg; Mylan-amantadine; Odan-amantadine Syrup; Osmolex ER; PHL-amantadine; PHL-amantadine Syrup 10mg/ml; PMS-amantadine Hydrochloride Capsules; PMS-amantadine Hydrochloride Syrup; Pdp-amantadine Hydrochloride Capsules; Pdp-amantadine Hydrochloride Syrup; Symmetrel; Symmetrel Capsules 100mg; Symmetrel Syrup 10mg/ml

> <INTERNATIONAL_BRANDS>
PK-Merz; Symadine; Viregyt; Virosol

> <SALTS>
Amantadine hydrochloride; Amantadine sulfate

$$$$