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CHEMBRIDGE-ZINC02832066

 MMsINC code: MMs00722134
Type: Neutral
Formula: C26H20N2O2
SMILES:   Oc1ccc(cc1)\C=N\c1ccc(cc1)-c1ccc(\N=C\c2ccc(O)cc2)cc1
InChI:   InChI=1/C26H20N2O2/c29-25-13-1-19(2-14-25)17-27-23-9-5-21(6-10-23)22-7-11-24(12-8-22)28-18-20-3-15-26(30)16-4-20/h1-18,29-30H/b27-17+,28-18+

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Potential Energy
Epot(MMFF94)=110.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.458 g/mol  logS: -6.93684  SlogP: 6.266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151019  Sterimol/B1: 2.14514  Sterimol/B2: 3.04476  Sterimol/B3: 3.86781
  Sterimol/B4: 4.84562  Sterimol/L: 25.8722 
 
 Surface and Volume Properties
  Accessible surface: 734.251  Positive charged surface: 404.569  Negative charged surface: 317.464  Volume: 394.25
  Hydrophobic surface: 599.088  Hydrophilic surface: 135.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.