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ASINEX-ZINC00811688

 MMsINC code: MMs00175626
Type: Neutral
Formula: C13H8FNO3S
SMILES:   S1(=O)(=O)N(C(=O)c2c1cccc2)c1ccc(F)cc1
InChI:   InChI=1/C13H8FNO3S/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)19(15,17)18/h1-8H

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Potential Energy
Epot(MMFF94)=53.7485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.275 g/mol  logS: -3.94531  SlogP: 2.1748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197069  Sterimol/B1: 2.50139  Sterimol/B2: 3.04841  Sterimol/B3: 3.59196
  Sterimol/B4: 5.05463  Sterimol/L: 14.4001 
 
 Surface and Volume Properties
  Accessible surface: 442.639  Positive charged surface: 181.806  Negative charged surface: 260.833  Volume: 222.125
  Hydrophobic surface: 345.625  Hydrophilic surface: 97.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.