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CHEMBRIDGE-ZINC01053323

 MMsINC code: MMs00653550
Type: Neutral
Formula: C12H9ClFNOS
SMILES:   Clc1sc(cc1)C(=O)Nc1cc(F)ccc1C
InChI:   InChI=1/C12H9ClFNOS/c1-7-2-3-8(14)6-9(7)15-12(16)10-4-5-11(13)17-10/h2-6H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=45.0719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.727 g/mol  logS: -4.66254  SlogP: 4.10132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169055  Sterimol/B1: 1.97581  Sterimol/B2: 2.22544  Sterimol/B3: 2.95486
  Sterimol/B4: 6.91977  Sterimol/L: 14.5403 
 
 Surface and Volume Properties
  Accessible surface: 455.922  Positive charged surface: 176.935  Negative charged surface: 278.987  Volume: 227
  Hydrophobic surface: 423.994  Hydrophilic surface: 31.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.