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


ASINEX-ZINC03886834

 MMsINC code: MMs00291955
Type: Neutral
Formula: C11H8ClNO2
SMILES:   Clc1cc2cc(C(O)=O)c(nc2cc1)C
InChI:   InChI=1/C11H8ClNO2/c1-6-9(11(14)15)5-7-4-8(12)2-3-10(7)13-6/h2-5H,1H3,(H,14,15)

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)=48.8027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.643 g/mol  logS: -2.9905  SlogP: 2.89482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00973868  Sterimol/B1: 2.10342  Sterimol/B2: 2.46533  Sterimol/B3: 2.50506
  Sterimol/B4: 5.99182  Sterimol/L: 12.3772 
 
 Surface and Volume Properties
  Accessible surface: 400.82  Positive charged surface: 195.476  Negative charged surface: 199.783  Volume: 190.5
  Hydrophobic surface: 297.753  Hydrophilic surface: 103.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00291956
ASINEX-ZINC03886834