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


NCID-ZINC01750510

 MMsINC code: MMs02361977
Type: Neutral
Formula: C14H10ClNO2
SMILES:   Clc1cc([N+](=O)[O-])ccc1\C=C\c1ccccc1
InChI:   InChI=1/C14H10ClNO2/c15-14-10-13(16(17)18)9-8-12(14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+

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)=78.1194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.692 g/mol  logS: -5.47013  SlogP: 4.4186  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.00613e-07  Sterimol/B1: 2.09753  Sterimol/B2: 2.10173  Sterimol/B3: 4.01293
  Sterimol/B4: 4.89786  Sterimol/L: 15.8192 
 
 Surface and Volume Properties
  Accessible surface: 473.002  Positive charged surface: 168.33  Negative charged surface: 304.672  Volume: 236
  Hydrophobic surface: 389.983  Hydrophilic surface: 83.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.