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PUBCHEM-ZINC06906188

 MMsINC code: MMs03896699
Type: Neutral
Formula: C11H14F3NO3S
SMILES:   S(=O)(=O)(NC(C)(C)C)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C11H14F3NO3S/c1-10(2,3)15-19(16,17)9-6-4-8(5-7-9)18-11(12,13)14/h4-7,15H,1-3H3

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Potential Energy
Epot(MMFF94)=47.7432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.297 g/mol  logS: -3.39382  SlogP: 3.0819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155636  Sterimol/B1: 2.48253  Sterimol/B2: 3.22883  Sterimol/B3: 4.68883
  Sterimol/B4: 5.76619  Sterimol/L: 13.5171 
 
 Surface and Volume Properties
  Accessible surface: 449.635  Positive charged surface: 202.984  Negative charged surface: 246.652  Volume: 235.375
  Hydrophobic surface: 215.538  Hydrophilic surface: 234.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.