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CHEMBRIDGE-ZINC01146352

 MMsINC code: MMs00671404
Type: Neutral
Formula: C19H15ClN2O2S
SMILES:   Clc1ccc(cc1)CC(=O)Nc1cc(NC(=O)c2sccc2)ccc1
InChI:   InChI=1/C19H15ClN2O2S/c20-14-8-6-13(7-9-14)11-18(23)21-15-3-1-4-16(12-15)22-19(24)17-5-2-10-25-17/h1-10,12H,11H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=87.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.86 g/mol  logS: -5.92729  SlogP: 4.83497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384642  Sterimol/B1: 2.42399  Sterimol/B2: 3.26377  Sterimol/B3: 4.3223
  Sterimol/B4: 7.42891  Sterimol/L: 20.7889 
 
 Surface and Volume Properties
  Accessible surface: 630.113  Positive charged surface: 297.37  Negative charged surface: 332.743  Volume: 330.125
  Hydrophobic surface: 550.707  Hydrophilic surface: 79.406
 
 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.