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ASINEX-ZINC01593919

 MMsINC code: MMs00255390
Type: Neutral
Formula: C26H20N2
SMILES:   N(N=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H20N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.46 g/mol  logS: -7.6263  SlogP: 5.9766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480975  Sterimol/B1: 2.54969  Sterimol/B2: 2.68898  Sterimol/B3: 3.47014
  Sterimol/B4: 11.2334  Sterimol/L: 15.5178 
 
 Surface and Volume Properties
  Accessible surface: 637.247  Positive charged surface: 347.394  Negative charged surface: 289.854  Volume: 374.625
  Hydrophobic surface: 623.129  Hydrophilic surface: 14.118
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.