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


NCID-ZINC01705025

 MMsINC code: MMs02333674
Type: Ionized
Formula: C11H9ClNO2-
SMILES:   Clc1cc2[nH]c(C)c(c2cc1)CC(=O)[O-]
InChI:   InChI=1/C11H10ClNO2/c1-6-9(5-11(14)15)8-3-2-7(12)4-10(8)13-6/h2-4,13H,5H2,1H3,(H,14,15)/p-1

Download   format file 
Drug Similarity  |  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)=30.1272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.651 g/mol  logS: -3.01378  SlogP: 1.42209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626352  Sterimol/B1: 2.54304  Sterimol/B2: 2.70295  Sterimol/B3: 3.36918
  Sterimol/B4: 6.70934  Sterimol/L: 11.8004 
 
 Surface and Volume Properties
  Accessible surface: 403.577  Positive charged surface: 172.412  Negative charged surface: 226.43  Volume: 198
  Hydrophobic surface: 296.022  Hydrophilic surface: 107.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs02333673
NCID-ZINC01705025