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ENAMINE-ZINC02664152

 MMsINC code: MMs01284156
Type: Neutral
Formula: C15H15F3N2O4S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)NCC(F)(F)F)c1ccccc1OC
InChI:   InChI=1/C15H15F3N2O4S2/c1-24-12-6-3-2-5-11(12)20(9-13(21)19-10-15(16,17)18)26(22,23)14-7-4-8-25-14/h2-8H,9-10H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=112.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.421 g/mol  logS: -4.39325  SlogP: 3.0504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15881  Sterimol/B1: 2.32122  Sterimol/B2: 3.05254  Sterimol/B3: 5.82157
  Sterimol/B4: 8.65273  Sterimol/L: 15.6554 
 
 Surface and Volume Properties
  Accessible surface: 587.017  Positive charged surface: 285.708  Negative charged surface: 301.309  Volume: 321.75
  Hydrophobic surface: 403.929  Hydrophilic surface: 183.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.