Mrv1718009141821132D          

 21 23  0  0  0  0            999 V2000
   -2.3804   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -1.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3797    1.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664    1.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818   -1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4693   -0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -0.9929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 14 13  1  0  0  0  0
 16  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB05592

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C)CC1CCOC1(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3

> <INCHI_KEY>
BOTHKNZTGGXFEQ-UHFFFAOYSA-N

> <FORMULA>
C19H23NO

> <MOLECULAR_WEIGHT>
281.399

> <EXACT_MASS>
281.177964365

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.570296203646876

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(2,2-diphenyloxolan-3-yl)methyl]dimethylamine

> <ALOGPS_LOGP>
3.73

> <JCHEM_LOGP>
3.5027067856666667

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.544806989377777

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
87.56780000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.97e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2,2-diphenyloxolan-3-yl)methyl]dimethylamine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB05592

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Blarcamesine

> <SYNONYMS>
Anavex 2-73; ANAVEX 2-73 FREE BASE; ANAVEX2-73; ANAVEX2-73 free base; Blarcamesine; Tetrahydro-N,N-dimethyl-2,2-diphenyl-3-furanemethanamine; THD-DP-FM

> <SALTS>
Blarcamesine hydrochloride

$$$$