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CHEMBRIDGE-ZINC01149482

 MMsINC code: MMs00672149
Type: Neutral
Formula: C18H12Cl2N2O2S
SMILES:   Clc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2sccc2)cc1
InChI:   InChI=1/C18H12Cl2N2O2S/c19-11-3-8-15(20)14(10-11)17(23)21-12-4-6-13(7-5-12)22-18(24)16-2-1-9-25-16/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=94.8853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.278 g/mol  logS: -6.60011  SlogP: 5.5595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02119  Sterimol/B1: 2.46537  Sterimol/B2: 3.72864  Sterimol/B3: 4.47114
  Sterimol/B4: 5.08591  Sterimol/L: 20.0235 
 
 Surface and Volume Properties
  Accessible surface: 611.948  Positive charged surface: 239.427  Negative charged surface: 372.521  Volume: 327.25
  Hydrophobic surface: 542.923  Hydrophilic surface: 69.025
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.