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ENAMINE-ZINC03369804

 MMsINC code: MMs01401080
Type: Neutral
Formula: C15H14F3NO2S
SMILES:   S(=O)(=O)(NC(C)c1ccccc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H14F3NO2S/c1-11(12-6-3-2-4-7-12)19-22(20,21)14-9-5-8-13(10-14)15(16,17)18/h2-11,19H,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=37.9056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.342 g/mol  logS: -4.37452  SlogP: 4.1519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268447  Sterimol/B1: 2.33145  Sterimol/B2: 3.17029  Sterimol/B3: 6.35628
  Sterimol/B4: 6.69683  Sterimol/L: 12.4358 
 
 Surface and Volume Properties
  Accessible surface: 513.202  Positive charged surface: 210.699  Negative charged surface: 302.503  Volume: 271.875
  Hydrophobic surface: 326.315  Hydrophilic surface: 186.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.