Mrv0541 08221314232D          

 14 15  0  0  0  0            999 V2000
   -0.2766   -1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728    1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -0.1597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 12  8  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 11  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 11  4  1  0  0  0  0
 10  3  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000456

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H

> <INCHI_KEY>
LDDHMLJTFXJGPI-UHFFFAOYSA-N

> <FORMULA>
C12H22ClN

> <MOLECULAR_WEIGHT>
215.763

> <EXACT_MASS>
215.144077416

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9997987014424147

> <JCHEM_AVERAGE_POLARIZABILITY>
21.823529345898123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5-dimethyladamantan-1-amine hydrochloride

> <ALOGPS_LOGP>
3.31

> <JCHEM_LOGP>
2.066041788333333

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.696071905405688

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
54.4858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000456

> <NAME>
Memantine hydrochloride

> <DRUG_DRUGBANK_ID>
DB01043

> <DRUG_NAME>
Memantine

> <CAS_NUMBER>
41100-52-1

> <UNII>
JY0WD0UA60

$$$$