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CHEMBRIDGE-ZINC00134150

 MMsINC code: MMs00590576
Type: Neutral
Formula: C17H12ClFN2OS
SMILES:   Clc1ccc(cc1)C(=O)Nc1sc(cn1)Cc1ccc(F)cc1
InChI:   InChI=1/C17H12ClFN2OS/c18-13-5-3-12(4-6-13)16(22)21-17-20-10-15(23-17)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2,(H,20,21,22)

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Potential Energy
Epot(MMFF94)=61.8393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.813 g/mol  logS: -5.81136  SlogP: 4.77867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617335  Sterimol/B1: 2.98976  Sterimol/B2: 3.65171  Sterimol/B3: 4.53182
  Sterimol/B4: 5.33096  Sterimol/L: 18.3145 
 
 Surface and Volume Properties
  Accessible surface: 565.836  Positive charged surface: 265.145  Negative charged surface: 300.692  Volume: 298.625
  Hydrophobic surface: 504.156  Hydrophilic surface: 61.68
 
 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.