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PUBCHEM-ZINC00041310

 MMsINC code: MMs02628895
Type: Neutral
Formula: C14H13ClN2O2
SMILES:   Clc1ccccc1NC(=O)NOCc1ccccc1
InChI:   InChI=1/C14H13ClN2O2/c15-12-8-4-5-9-13(12)16-14(18)17-19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=69.5826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.723 g/mol  logS: -4.18494  SlogP: 3.8597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488529  Sterimol/B1: 3.39407  Sterimol/B2: 3.4213  Sterimol/B3: 4.06616
  Sterimol/B4: 5.70251  Sterimol/L: 16.6398 
 
 Surface and Volume Properties
  Accessible surface: 521.798  Positive charged surface: 265.362  Negative charged surface: 256.435  Volume: 253.625
  Hydrophobic surface: 439.554  Hydrophilic surface: 82.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.