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


CHEMBRIDGE-ZINC02286472

 MMsINC code: MMs00706167
Type: Neutral
Formula: C26H16N2O3
SMILES:   o1nc2c(cc(Oc3cc4c(noc4-c4ccccc4)cc3)cc2)c1-c1ccccc1
InChI:   InChI=1/C26H16N2O3/c1-3-7-17(8-4-1)25-21-15-19(11-13-23(21)27-30-25)29-20-12-14-24-22(16-20)26(31-28-24)18-9-5-2-6-10-18/h1-16H

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)=169.511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.425 g/mol  logS: -8.94401  SlogP: 7.0953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675634  Sterimol/B1: 2.11513  Sterimol/B2: 3.66737  Sterimol/B3: 6.11342
  Sterimol/B4: 7.78164  Sterimol/L: 19.3231 
 
 Surface and Volume Properties
  Accessible surface: 671.245  Positive charged surface: 328.557  Negative charged surface: 333.358  Volume: 379.375
  Hydrophobic surface: 595.767  Hydrophilic surface: 75.478
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.