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ASINEX-ZINC02060570

 MMsINC code: MMs00261960
Type: Neutral
Formula: C28H15NO2
SMILES:   O=C1N(C(=O)c2c3c1cccc3ccc2)c1c2c3c(-c4c(-c3ccc2)cccc4)cc1
InChI:   InChI=1/C28H15NO2/c30-27-22-12-3-6-16-7-4-13-23(25(16)22)28(31)29(27)24-15-14-20-18-9-2-1-8-17(18)19-10-5-11-21(24)26(19)20/h1-15H

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Potential Energy
Epot(MMFF94)=199.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.433 g/mol  logS: -10.7216  SlogP: 6.441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100051  Sterimol/B1: 4.83952  Sterimol/B2: 4.83991  Sterimol/B3: 4.85962
  Sterimol/B4: 5.05416  Sterimol/L: 18.1932 
 
 Surface and Volume Properties
  Accessible surface: 626.689  Positive charged surface: 289.899  Negative charged surface: 296.72  Volume: 374
  Hydrophobic surface: 575.857  Hydrophilic surface: 50.832
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.