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ASINEX-ZINC06681493

 MMsINC code: MMs00444954
Type: Neutral
Formula: C12H9F3N2O3S2
SMILES:   s1cc(S(=O)(=O)Nc2cc(ccc2)C(F)(F)F)cc1C(=O)N
InChI:   InChI=1/C12H9F3N2O3S2/c13-12(14,15)7-2-1-3-8(4-7)17-22(19,20)9-5-10(11(16)18)21-6-9/h1-6,17H,(H2,16,18)

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Potential Energy
Epot(MMFF94)=42.3747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.341 g/mol  logS: -4.16206  SlogP: 2.9781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259216  Sterimol/B1: 2.5282  Sterimol/B2: 4.15494  Sterimol/B3: 5.79702
  Sterimol/B4: 6.13359  Sterimol/L: 12.1813 
 
 Surface and Volume Properties
  Accessible surface: 498.109  Positive charged surface: 182.3  Negative charged surface: 315.809  Volume: 258.375
  Hydrophobic surface: 206.172  Hydrophilic surface: 291.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.