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ENAMINE-ZINC03331474

 MMsINC code: MMs01377008
Type: Neutral
Formula: C11H14F3NO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-6-4-5-9(7-10)11(12,13)14/h4-8,15H,3H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=19.753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.298 g/mol  logS: -3.1356  SlogP: 3.0937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152756  Sterimol/B1: 3.49381  Sterimol/B2: 3.98685  Sterimol/B3: 4.49285
  Sterimol/B4: 5.06736  Sterimol/L: 12.844 
 
 Surface and Volume Properties
  Accessible surface: 450.124  Positive charged surface: 204.438  Negative charged surface: 245.686  Volume: 231.625
  Hydrophobic surface: 243.073  Hydrophilic surface: 207.051
 
 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.