logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMBRIDGE-ZINC01087102

 MMsINC code: MMs00659848
Type: Neutral
Formula: C24H18N2O2
SMILES:   Oc1ccc(cc1)\C=N\c1c2c(ccc1)c(\N=C\c1ccc(O)cc1)ccc2
InChI:   InChI=1/C24H18N2O2/c27-19-11-7-17(8-12-19)15-25-23-5-1-3-21-22(23)4-2-6-24(21)26-16-18-9-13-20(28)14-10-18/h1-16,27-28H/b25-15+,26-16+

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=102.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -6.38834  SlogP: 5.7522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270039  Sterimol/B1: 2.23013  Sterimol/B2: 2.54281  Sterimol/B3: 4.05923
  Sterimol/B4: 7.55054  Sterimol/L: 22.2338 
 
 Surface and Volume Properties
  Accessible surface: 664.461  Positive charged surface: 377.687  Negative charged surface: 275.959  Volume: 361.125
  Hydrophobic surface: 533.68  Hydrophilic surface: 130.781
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.