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


CHEMDIV-ZINC04575618

 MMsINC code: MMs00938296
Type: Neutral
Formula: C26H16N2O3
SMILES:   o1nc2c(ccc(Oc3cc4noc(c4cc3)-c3ccccc3)c2)c1-c1ccccc1
InChI:   InChI=1/C26H16N2O3/c1-3-7-17(8-4-1)25-21-13-11-19(15-23(21)27-30-25)29-20-12-14-22-24(16-20)28-31-26(22)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)=167.009 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: 0.0393074  Sterimol/B1: 2.42967  Sterimol/B2: 3.71941  Sterimol/B3: 4.19217
  Sterimol/B4: 8.63045  Sterimol/L: 19.9682 
 
 Surface and Volume Properties
  Accessible surface: 673.201  Positive charged surface: 329.255  Negative charged surface: 334.949  Volume: 379.875
  Hydrophobic surface: 597.427  Hydrophilic surface: 75.774
 
 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.