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ASINEX-ZINC00167545

MMsINC code: MMs00083469

Type: Neutral
Formula: C13H11F2NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)c1ccc(cc1)C
InChI:   InChI=1/C13H11F2NO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(14)8-12(13)15/h2-8,16H,1H3

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Potential Energy
Epot(MMFF94)=40.2783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.298 g/mol  logS: -4.1106  SlogP: 3.07402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197832  Sterimol/B1: 3.0686  Sterimol/B2: 3.72931  Sterimol/B3: 4.28917
  Sterimol/B4: 6.90594  Sterimol/L: 11.904 
 
 Surface and Volume Properties
  Accessible surface: 456.277  Positive charged surface: 212.733  Negative charged surface: 243.544  Volume: 236.25
  Hydrophobic surface: 375.638  Hydrophilic surface: 80.639
 
 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.