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ASINEX-ZINC00877980

 MMsINC code: MMs00204615
Type: Neutral
Formula: C23H18FN3OS
SMILES:   S(CC(=O)Nc1ccccc1C)c1nc(nc2c1cc(F)cc2)-c1ccccc1
InChI:   InChI=1/C23H18FN3OS/c1-15-7-5-6-10-19(15)25-21(28)14-29-23-18-13-17(24)11-12-20(18)26-22(27-23)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,28)

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Potential Energy
Epot(MMFF94)=94.407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.481 g/mol  logS: -8.60462  SlogP: 5.47512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130385  Sterimol/B1: 2.22087  Sterimol/B2: 3.75396  Sterimol/B3: 5.29276
  Sterimol/B4: 9.15958  Sterimol/L: 17.6059 
 
 Surface and Volume Properties
  Accessible surface: 673.813  Positive charged surface: 346.867  Negative charged surface: 316.39  Volume: 373.25
  Hydrophobic surface: 582.701  Hydrophilic surface: 91.112
 
 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.