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ASINEX-ZINC04511460

 MMsINC code: MMs00346068
Type: Neutral
Formula: C15H13FN2O3S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc2CC(=O)N(c2cc1)C
InChI:   InChI=1/C15H13FN2O3S/c1-18-14-7-6-11(8-10(14)9-15(18)19)22(20,21)17-13-5-3-2-4-12(13)16/h2-8,17H,9H2,1H3

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Potential Energy
Epot(MMFF94)=55.7654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.344 g/mol  logS: -3.62167  SlogP: 2.14537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176573  Sterimol/B1: 3.22131  Sterimol/B2: 4.60436  Sterimol/B3: 5.22918
  Sterimol/B4: 5.50463  Sterimol/L: 12.5631 
 
 Surface and Volume Properties
  Accessible surface: 499.877  Positive charged surface: 283.016  Negative charged surface: 216.861  Volume: 271.5
  Hydrophobic surface: 372.926  Hydrophilic surface: 126.951
 
 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.