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ASINEX-ZINC02284406

MMsINC code: MMs00267533

Type: Neutral
Formula: C20H19ClN2O2
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)N(Cc1ccccc1)CC
InChI:   InChI=1/C20H19ClN2O2/c1-3-23(13-15-9-5-4-6-10-15)20(24)18-14(2)25-22-19(18)16-11-7-8-12-17(16)21/h4-12H,3,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=77.3084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.837 g/mol  logS: -5.60934  SlogP: 5.23212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184081  Sterimol/B1: 2.5016  Sterimol/B2: 3.30248  Sterimol/B3: 6.21469
  Sterimol/B4: 6.3603  Sterimol/L: 15.4649 
 
 Surface and Volume Properties
  Accessible surface: 566.483  Positive charged surface: 292.997  Negative charged surface: 273.486  Volume: 340.75
  Hydrophobic surface: 513.94  Hydrophilic surface: 52.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.