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ASINEX-ZINC04610925

 MMsINC code: MMs00355745
Type: Neutral
Formula: C19H15NO2
SMILES:   O1C(=N\C(=C\C=C\c2ccccc2)\C1=O)c1ccc(cc1)C
InChI:   InChI=1/C19H15NO2/c1-14-10-12-16(13-11-14)18-20-17(19(21)22-18)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9-

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Potential Energy
Epot(MMFF94)=79.2904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -6.3502  SlogP: 3.89572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00214671  Sterimol/B1: 2.10435  Sterimol/B2: 2.51226  Sterimol/B3: 2.73509
  Sterimol/B4: 8.50539  Sterimol/L: 17.7535 
 
 Surface and Volume Properties
  Accessible surface: 567.25  Positive charged surface: 291.694  Negative charged surface: 275.556  Volume: 291.125
  Hydrophobic surface: 484.73  Hydrophilic surface: 82.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.