Mrv1909 12231917372D          

 23 23  0  0  0  0            999 V2000
   -0.6658   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0504   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -0.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967    0.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    0.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0968   -0.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1459    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    2.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    2.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    1.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5752   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -2.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603   -2.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -2.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489   -1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762   -2.2771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  8 12  2  0  0  0  0
  4  6  2  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  2  0  0  0  0
  3  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7 17  2  0  0  0  0
  3  4  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 18 19  2  0  0  0  0
  1  2  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
 21  7  1  0  0  0  0
  4  5  1  0  0  0  0
  1 22  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002910

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CC(CC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H24N2O.ClH/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,15H,14H2,1-3H3,(H2,20,22);1H

> <INCHI_KEY>
NNCPYVVEKIAMCB-UHFFFAOYSA-N

> <FORMULA>
C19H25ClN2O

> <MOLECULAR_WEIGHT>
332.87

> <EXACT_MASS>
332.1655411

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9980645937746123

> <JCHEM_AVERAGE_POLARIZABILITY>
33.24560897941859

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(dimethylamino)-2,2-diphenylpentanamide hydrochloride

> <ALOGPS_LOGP>
2.61

> <JCHEM_LOGP>
3.1700676519999993

> <ALOGPS_LOGS>
-4.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.448230051925222

> <JCHEM_PKA_STRONGEST_BASIC>
9.712386421838463

> <JCHEM_POLAR_SURFACE_AREA>
46.330000000000005

> <JCHEM_REFRACTIVITY>
90.91310000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.92e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-trien-12-yl]butan-1-one

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002910

> <NAME>
Aminopentamide hydrochloride

> <DRUG_DRUGBANK_ID>
DB15597

> <DRUG_NAME>
Aminopentamide

> <CAS_NUMBER>
2019-75-2

> <UNII>
H1HPQ055F3

$$$$