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ENAMINE-ZINC03327468

 MMsINC code: MMs01374318
Type: Neutral
Formula: C14H12F3NO2S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H12F3NO2S/c15-14(16,17)12-7-4-8-13(9-12)21(19,20)18-10-11-5-2-1-3-6-11/h1-9,18H,10H2

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Potential Energy
Epot(MMFF94)=31.195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.315 g/mol  logS: -4.04731  SlogP: 3.7618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139489  Sterimol/B1: 3.47922  Sterimol/B2: 4.1183  Sterimol/B3: 5.18179
  Sterimol/B4: 5.2645  Sterimol/L: 14.3561 
 
 Surface and Volume Properties
  Accessible surface: 512.742  Positive charged surface: 201.976  Negative charged surface: 310.765  Volume: 257.625
  Hydrophobic surface: 327.249  Hydrophilic surface: 185.493
 
 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.