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PUBCHEM-ZINC06415956

 MMsINC code: MMs03717027
Type: Neutral
Formula: C14H12F3NO2S2
SMILES:   S(C)c1ccccc1NS(=O)(=O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H12F3NO2S2/c1-21-13-8-3-2-7-12(13)18-22(19,20)11-6-4-5-10(9-11)14(15,16)17/h2-9,18H,1H3

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Potential Energy
Epot(MMFF94)=64.4645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.381 g/mol  logS: -5.12467  SlogP: 4.5396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.316837  Sterimol/B1: 2.28858  Sterimol/B2: 3.28814  Sterimol/B3: 6.13487
  Sterimol/B4: 6.53506  Sterimol/L: 11.928 
 
 Surface and Volume Properties
  Accessible surface: 498.802  Positive charged surface: 197.713  Negative charged surface: 301.09  Volume: 274.375
  Hydrophobic surface: 298.375  Hydrophilic surface: 200.427
 
 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.