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


ASINEX-ZINC00555810

 MMsINC code: MMs00139313
Type: Neutral
Formula: C10H7ClN2O2
SMILES:   Clc1ccc(cc1)\C=C/1\NC(=O)NC\1=O
InChI:   InChI=1/C10H7ClN2O2/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+

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)=28.9763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.631 g/mol  logS: -3.21404  SlogP: 1.5203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423965  Sterimol/B1: 2.097  Sterimol/B2: 3.07957  Sterimol/B3: 3.19911
  Sterimol/B4: 4.55191  Sterimol/L: 13.631 
 
 Surface and Volume Properties
  Accessible surface: 395.353  Positive charged surface: 187.427  Negative charged surface: 207.925  Volume: 185.5
  Hydrophobic surface: 242.505  Hydrophilic surface: 152.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.