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ASINEX-ZINC01342627

 MMsINC code: MMs00240448
Type: Neutral
Formula: C23H18FN3OS
SMILES:   S(CC(=O)Nc1cc(F)ccc1)c1nc(nc2c1cccc2)Cc1ccccc1
InChI:   InChI=1/C23H18FN3OS/c24-17-9-6-10-18(14-17)25-22(28)15-29-23-19-11-4-5-12-20(19)26-21(27-23)13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,25,28)

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Potential Energy
Epot(MMFF94)=93.5256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.481 g/mol  logS: -7.39324  SlogP: 5.09047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430916  Sterimol/B1: 2.22151  Sterimol/B2: 2.25666  Sterimol/B3: 5.16685
  Sterimol/B4: 11.1752  Sterimol/L: 17.4198 
 
 Surface and Volume Properties
  Accessible surface: 680.859  Positive charged surface: 367.286  Negative charged surface: 308.038  Volume: 373.875
  Hydrophobic surface: 586.769  Hydrophilic surface: 94.09
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.