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CHEMDIV-ZINC06839429

 MMsINC code: MMs01045342
Type: Neutral
Formula: C16H13ClN2O2
SMILES:   Clc1ccccc1NC(=O)Cc1noc2c1cc(cc2)C
InChI:   InChI=1/C16H13ClN2O2/c1-10-6-7-15-11(8-10)14(19-21-15)9-16(20)18-13-5-3-2-4-12(13)17/h2-8H,9H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=73.4402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.745 g/mol  logS: -5.2705  SlogP: 3.97079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118308  Sterimol/B1: 2.0316  Sterimol/B2: 4.19802  Sterimol/B3: 4.41505
  Sterimol/B4: 7.44146  Sterimol/L: 14.5058 
 
 Surface and Volume Properties
  Accessible surface: 527.654  Positive charged surface: 261.009  Negative charged surface: 262.977  Volume: 272.5
  Hydrophobic surface: 472.183  Hydrophilic surface: 55.471
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.