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ENAMINE-ZINC03311531

 MMsINC code: MMs01364199
Type: Neutral
Formula: C14H11F4NO2S
SMILES:   S(=O)(=O)(NCc1ccc(F)cc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H11F4NO2S/c15-12-6-4-10(5-7-12)9-19-22(20,21)13-3-1-2-11(8-13)14(16,17)18/h1-8,19H,9H2

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Potential Energy
Epot(MMFF94)=29.7141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.305 g/mol  logS: -4.34229  SlogP: 3.9009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101979  Sterimol/B1: 2.4528  Sterimol/B2: 3.56685  Sterimol/B3: 5.42667
  Sterimol/B4: 6.20734  Sterimol/L: 15.1017 
 
 Surface and Volume Properties
  Accessible surface: 511.344  Positive charged surface: 190.262  Negative charged surface: 321.082  Volume: 257.875
  Hydrophobic surface: 325.488  Hydrophilic surface: 185.856
 
 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.