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PUBCHEM-ZINC06252218

 MMsINC code: MMs03639594
Type: Neutral
Formula: C13H14F3NO2S
SMILES:   S1CC(=O)N(CC(F)(F)F)C1COCc1ccccc1
InChI:   InChI=1/C13H14F3NO2S/c14-13(15,16)9-17-11(18)8-20-12(17)7-19-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=68.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.32 g/mol  logS: -3.6721  SlogP: 3.3533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193187  Sterimol/B1: 3.10032  Sterimol/B2: 4.51339  Sterimol/B3: 4.84615
  Sterimol/B4: 5.28254  Sterimol/L: 13.1783 
 
 Surface and Volume Properties
  Accessible surface: 503.739  Positive charged surface: 254.926  Negative charged surface: 248.813  Volume: 256.375
  Hydrophobic surface: 330.14  Hydrophilic surface: 173.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.