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CHEMBRIDGE-ZINC00991736

 MMsINC code: MMs00650378
Type: Neutral
Formula: C23H19N3O2
SMILES:   O(C)c1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
InChI:   InChI=1/C23H19N3O2/c1-28-20-14-12-18(13-15-20)24-23(27)21-16-26(19-10-6-3-7-11-19)25-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H,24,27)

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Potential Energy
Epot(MMFF94)=119.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.424 g/mol  logS: -5.95434  SlogP: 4.8002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191498  Sterimol/B1: 2.54781  Sterimol/B2: 3.39272  Sterimol/B3: 4.9006
  Sterimol/B4: 8.56991  Sterimol/L: 19.0322 
 
 Surface and Volume Properties
  Accessible surface: 656.922  Positive charged surface: 378.815  Negative charged surface: 278.107  Volume: 361.625
  Hydrophobic surface: 594.51  Hydrophilic surface: 62.412
 
 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.