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ENAMINE-ZINC06559419

 MMsINC code: MMs01673940
Type: Neutral
Formula: C11H14F3NO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1ccccc1C(F)(F)F
InChI:   InChI=1/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-8,15H,3H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=41.2791 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: 0.121501  Sterimol/B1: 2.45596  Sterimol/B2: 2.81796  Sterimol/B3: 4.19747
  Sterimol/B4: 5.88514  Sterimol/L: 11.2442 
 
 Surface and Volume Properties
  Accessible surface: 428.009  Positive charged surface: 196.067  Negative charged surface: 231.942  Volume: 227.75
  Hydrophobic surface: 244.623  Hydrophilic surface: 183.386
 
 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.