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ENAMINE-ZINC00332267

 MMsINC code: MMs01228425
Type: Neutral
Formula: C8H8F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)C(F)(F)F
InChI:   InChI=1/C8H8F3NO2S/c1-6-2-4-7(5-3-6)12-15(13,14)8(9,10)11/h2-5,12H,1H3

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Potential Energy
Epot(MMFF94)=69.5213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.217 g/mol  logS: -2.83573  SlogP: 2.67642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143701  Sterimol/B1: 3.07883  Sterimol/B2: 3.32217  Sterimol/B3: 3.38109
  Sterimol/B4: 4.20556  Sterimol/L: 11.7317 
 
 Surface and Volume Properties
  Accessible surface: 383.75  Positive charged surface: 152.117  Negative charged surface: 231.633  Volume: 175.5
  Hydrophobic surface: 204.018  Hydrophilic surface: 179.732
 
 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.