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PUBCHEM-ZINC05467802

 MMsINC code: MMs03278260
Type: Neutral
Formula: C10H14FNO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1ccc(F)cc1
InChI:   InChI=1/C10H14FNO2S/c1-3-8(2)12-15(13,14)10-6-4-9(11)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=3.83825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.291 g/mol  logS: -2.37403  SlogP: 1.9025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148744  Sterimol/B1: 3.26149  Sterimol/B2: 4.01875  Sterimol/B3: 4.15348
  Sterimol/B4: 4.5254  Sterimol/L: 12.9563 
 
 Surface and Volume Properties
  Accessible surface: 414.297  Positive charged surface: 223.29  Negative charged surface: 191.007  Volume: 207.75
  Hydrophobic surface: 303.341  Hydrophilic surface: 110.956
 
 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.