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CHEMDIV-ZINC00210583

 MMsINC code: MMs00840254
Type: Neutral
Formula: C19H14N2O
SMILES:   Oc1cc2c(n(nc2-c2ccccc2)-c2ccccc2)cc1
InChI:   InChI=1/C19H14N2O/c22-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20-21(18)15-9-5-2-6-10-15/h1-13,22H

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Potential Energy
Epot(MMFF94)=93.0248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.334 g/mol  logS: -5.4187  SlogP: 4.3981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396608  Sterimol/B1: 2.74629  Sterimol/B2: 3.00074  Sterimol/B3: 3.11066
  Sterimol/B4: 8.20292  Sterimol/L: 15.1737 
 
 Surface and Volume Properties
  Accessible surface: 531.554  Positive charged surface: 272.794  Negative charged surface: 252.975  Volume: 281.25
  Hydrophobic surface: 465.705  Hydrophilic surface: 65.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.