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ENAMINE-ZINC06547539

 MMsINC code: MMs01670312
Type: Neutral
Formula: C15H14F3NO2S
SMILES:   S(=O)(=O)(NCc1cc(ccc1)C(F)(F)F)c1cc(ccc1)C
InChI:   InChI=1/C15H14F3NO2S/c1-11-4-2-7-14(8-11)22(20,21)19-10-12-5-3-6-13(9-12)15(16,17)18/h2-9,19H,10H2,1H3

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Potential Energy
Epot(MMFF94)=33.7506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.342 g/mol  logS: -4.52123  SlogP: 4.07022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121544  Sterimol/B1: 2.15805  Sterimol/B2: 3.42339  Sterimol/B3: 5.45895
  Sterimol/B4: 6.20977  Sterimol/L: 15.3058 
 
 Surface and Volume Properties
  Accessible surface: 540.585  Positive charged surface: 227.845  Negative charged surface: 312.74  Volume: 273.75
  Hydrophobic surface: 351.933  Hydrophilic surface: 188.652
 
 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.