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PUBCHEM-ZINC00029665

 MMsINC code: MMs02627324
Type: Neutral
Formula: C13H12FNO2S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1)c1ccc(cc1)C
InChI:   InChI=1/C13H12FNO2S/c1-10-5-7-13(8-6-10)18(16,17)15-12-4-2-3-11(14)9-12/h2-9,15H,1H3

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Potential Energy
Epot(MMFF94)=28.5406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.308 g/mol  logS: -3.81562  SlogP: 2.93492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155645  Sterimol/B1: 3.05154  Sterimol/B2: 3.51285  Sterimol/B3: 3.65269
  Sterimol/B4: 6.78852  Sterimol/L: 12.7033 
 
 Surface and Volume Properties
  Accessible surface: 448.824  Positive charged surface: 232.573  Negative charged surface: 216.251  Volume: 230.75
  Hydrophobic surface: 367.428  Hydrophilic surface: 81.396
 
 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.