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


ASINEX-ZINC00315937

 MMsINC code: MMs00117077
Type: Neutral
Formula: C19H14N2O2
SMILES:   O=C(N(C(=O)c1ccccc1)c1ncccc1)c1ccccc1
InChI:   InChI=1/C19H14N2O2/c22-18(15-9-3-1-4-10-15)21(17-13-7-8-14-20-17)19(23)16-11-5-2-6-12-16/h1-14H

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)=178.472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.333 g/mol  logS: -4.45721  SlogP: 3.5688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774687  Sterimol/B1: 3.45122  Sterimol/B2: 3.73804  Sterimol/B3: 4.89676
  Sterimol/B4: 5.29734  Sterimol/L: 14.4711 
 
 Surface and Volume Properties
  Accessible surface: 494.853  Positive charged surface: 276.126  Negative charged surface: 218.727  Volume: 287.25
  Hydrophobic surface: 425.839  Hydrophilic surface: 69.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.