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ASINEX-ZINC06681485

 MMsINC code: MMs00444948
Type: Neutral
Formula: C11H9FN2O3S2
SMILES:   s1cc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N
InChI:   InChI=1/C11H9FN2O3S2/c12-7-1-3-8(4-2-7)14-19(16,17)9-5-10(11(13)15)18-6-9/h1-6,14H,(H2,13,15)

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Potential Energy
Epot(MMFF94)=26.8576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.334 g/mol  logS: -3.40049  SlogP: 1.7869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212036  Sterimol/B1: 2.47743  Sterimol/B2: 4.87933  Sterimol/B3: 5.28604
  Sterimol/B4: 5.64724  Sterimol/L: 11.2425 
 
 Surface and Volume Properties
  Accessible surface: 456.33  Positive charged surface: 198.248  Negative charged surface: 258.082  Volume: 233.625
  Hydrophobic surface: 269.556  Hydrophilic surface: 186.774
 
 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.