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ASINEX-ZINC00315975

 MMsINC code: MMs00117085
Type: Neutral
Formula: C24H15NO2
SMILES:   O1C(=NC(=C2C(=C2c2ccccc2)c2ccccc2)C1=O)c1ccccc1
InChI:   InChI=1/C24H15NO2/c26-24-22(25-23(27-24)18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15H

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Potential Energy
Epot(MMFF94)=173.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.389 g/mol  logS: -7.50834  SlogP: 4.8687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559002  Sterimol/B1: 2.55678  Sterimol/B2: 3.40989  Sterimol/B3: 3.66193
  Sterimol/B4: 10.1816  Sterimol/L: 17.3741 
 
 Surface and Volume Properties
  Accessible surface: 653.268  Positive charged surface: 345.145  Negative charged surface: 301.184  Volume: 348
  Hydrophobic surface: 579.838  Hydrophilic surface: 73.43
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.