Mrv1572004221604372D          

 22 24  0  0  0  0            999 V2000
   -0.4421    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296    4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    6.2684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    6.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 21 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13642

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2

> <INCHI_KEY>
RQXCLMGKHJWMOA-UHFFFAOYSA-N

> <FORMULA>
C20H25NO

> <MOLECULAR_WEIGHT>
295.426

> <EXACT_MASS>
295.193614429

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
34.67635034934123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,1-diphenyl-3-(piperidin-1-yl)propan-1-ol

> <ALOGPS_LOGP>
3.69

> <JCHEM_LOGP>
3.7041557373333323

> <ALOGPS_LOGS>
-4.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.359621273281459

> <JCHEM_PKA_STRONGEST_BASIC>
9.3402714969992

> <JCHEM_POLAR_SURFACE_AREA>
23.47

> <JCHEM_REFRACTIVITY>
92.2738

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.92e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pridinol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13642

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Pridinol

> <SYNONYMS>
Pridinol

> <SALTS>
Pridinol mesilate

$$$$