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


PUBCHEM-ZINC05784422

 MMsINC code: MMs03384792
Type: Neutral
Formula: C6H5ClO2
SMILES:   Clc1c(O)cccc1O
InChI:   InChI=1/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H

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)=34.1124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.557 g/mol  logS: -1.39527  SlogP: 1.7512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286586  Sterimol/B1: 2.097  Sterimol/B2: 2.36947  Sterimol/B3: 2.56163
  Sterimol/B4: 6.54103  Sterimol/L: 8.31585 
 
 Surface and Volume Properties
  Accessible surface: 297.718  Positive charged surface: 142.513  Negative charged surface: 155.206  Volume: 118.875
  Hydrophobic surface: 204.989  Hydrophilic surface: 92.729
 
 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.