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PUBCHEM-ZINC04696295

 MMsINC code: MMs03158756
Type: Neutral
Formula: C11H16FNO2S
SMILES:   S(=O)(=O)(NC(CC)(C)C)c1ccc(F)cc1
InChI:   InChI=1/C11H16FNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-9(12)6-8-10/h5-8,13H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=40.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.318 g/mol  logS: -2.70124  SlogP: 2.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221793  Sterimol/B1: 2.32869  Sterimol/B2: 3.1314  Sterimol/B3: 4.09318
  Sterimol/B4: 6.2923  Sterimol/L: 12.0186 
 
 Surface and Volume Properties
  Accessible surface: 423.174  Positive charged surface: 227.89  Negative charged surface: 195.284  Volume: 220.125
  Hydrophobic surface: 301.051  Hydrophilic surface: 122.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.