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


MAYBRIDGE-ZINC00166328

 MMsINC code: MMs02145167
Type: Neutral
Formula: C11H6Cl2N2O3
SMILES:   Clc1cccc(Cl)c1Oc1ncc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H6Cl2N2O3/c12-8-2-1-3-9(13)11(8)18-10-5-4-7(6-14-10)15(16)17/h1-6H

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)=62.7667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.086 g/mol  logS: -4.47952  SlogP: 4.0889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131436  Sterimol/B1: 3.54495  Sterimol/B2: 4.74644  Sterimol/B3: 4.75345
  Sterimol/B4: 4.88642  Sterimol/L: 13.5424 
 
 Surface and Volume Properties
  Accessible surface: 452.63  Positive charged surface: 165.184  Negative charged surface: 287.446  Volume: 221.375
  Hydrophobic surface: 370.187  Hydrophilic surface: 82.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.