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ENAMINE-ZINC06508987

 MMsINC code: MMs01665339
Type: Neutral
Formula: C10H12F3NO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1ccc(F)c(F)c1F
InChI:   InChI=1/C10H12F3NO2S/c1-3-6(2)14-17(15,16)8-5-4-7(11)9(12)10(8)13/h4-6,14H,3H2,1-2H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=9.47948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.271 g/mol  logS: -2.96399  SlogP: 2.1807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104427  Sterimol/B1: 3.16132  Sterimol/B2: 3.90343  Sterimol/B3: 4.3644
  Sterimol/B4: 4.39127  Sterimol/L: 12.9258 
 
 Surface and Volume Properties
  Accessible surface: 415.476  Positive charged surface: 200.098  Negative charged surface: 215.378  Volume: 211.25
  Hydrophobic surface: 305.224  Hydrophilic surface: 110.252
 
 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.