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ENAMINE-ZINC05131438

 MMsINC code: MMs01592678
Type: Neutral
Formula: C24H20ClNO2
SMILES:   Clc1cc2c(OC(=O)C=C2CNC(c2ccccc2)c2ccccc2)cc1C
InChI:   InChI=1/C24H20ClNO2/c1-16-12-22-20(14-21(16)25)19(13-23(27)28-22)15-26-24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,24,26H,15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.882 g/mol  logS: -6.97809  SlogP: 5.42552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117056  Sterimol/B1: 3.67682  Sterimol/B2: 4.78045  Sterimol/B3: 5.06022
  Sterimol/B4: 7.48503  Sterimol/L: 15.6363 
 
 Surface and Volume Properties
  Accessible surface: 652.507  Positive charged surface: 330.838  Negative charged surface: 321.669  Volume: 374.625
  Hydrophobic surface: 577.205  Hydrophilic surface: 75.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01592679
ENAMINE-ZINC05131438