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NCID-ZINC05105390

 MMsINC code: MMs02441705
Type: Neutral
Formula: C11H13F3O2S
SMILES:   S(OC(C(F)(F)F)(C)C)(=O)c1ccc(cc1)C
InChI:   InChI=1/C11H13F3O2S/c1-8-4-6-9(7-5-8)17(15)16-10(2,3)11(12,13)14/h4-7H,1-3H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=84.7765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.283 g/mol  logS: -4.14094  SlogP: 3.79502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787369  Sterimol/B1: 3.34053  Sterimol/B2: 3.52151  Sterimol/B3: 3.70215
  Sterimol/B4: 4.56664  Sterimol/L: 13.5842 
 
 Surface and Volume Properties
  Accessible surface: 446.492  Positive charged surface: 213.051  Negative charged surface: 233.441  Volume: 220.125
  Hydrophobic surface: 294.339  Hydrophilic surface: 152.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.