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ASINEX-ZINC04361614

 MMsINC code: MMs00327235
Type: Neutral
Formula: C13H8FNO3S
SMILES:   S1(=O)(=O)N(c2ccccc2F)C(=O)c2c1cccc2
InChI:   InChI=1/C13H8FNO3S/c14-10-6-2-3-7-11(10)15-13(16)9-5-1-4-8-12(9)19(15,17)18/h1-8H

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Potential Energy
Epot(MMFF94)=56.9268 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: 0.0947726  Sterimol/B1: 3.03197  Sterimol/B2: 3.54902  Sterimol/B3: 3.73908
  Sterimol/B4: 5.09251  Sterimol/L: 14.1225 
 
 Surface and Volume Properties
  Accessible surface: 445.939  Positive charged surface: 189.57  Negative charged surface: 256.369  Volume: 222.75
  Hydrophobic surface: 348.3  Hydrophilic surface: 97.639
 
 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.