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ASINEX-ZINC00029672

 MMsINC code: MMs00059888
Type: Neutral
Formula: C13H9FN2O2S2
SMILES:   s1c2c(nc1NS(=O)(=O)c1ccc(F)cc1)cccc2
InChI:   InChI=1/C13H9FN2O2S2/c14-9-5-7-10(8-6-9)20(17,18)16-13-15-11-3-1-2-4-12(11)19-13/h1-8H,(H,15,16)

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Potential Energy
Epot(MMFF94)=30.1507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.357 g/mol  logS: -4.62855  SlogP: 3.2362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985308  Sterimol/B1: 2.71866  Sterimol/B2: 4.30808  Sterimol/B3: 4.91422
  Sterimol/B4: 4.94981  Sterimol/L: 13.4863 
 
 Surface and Volume Properties
  Accessible surface: 479.436  Positive charged surface: 217.351  Negative charged surface: 262.085  Volume: 245.875
  Hydrophobic surface: 357.664  Hydrophilic surface: 121.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.