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


PUBCHEM-ZINC00896100

 MMsINC code: MMs02741709
Type: Neutral
Formula: C6H5ClO3
SMILES:   Clc1cc(O)cc(O)c1O
InChI:   InChI=1/C6H5ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,8-10H

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)=32.0193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.556 g/mol  logS: -1.03332  SlogP: 1.4568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404935  Sterimol/B1: 2.19984  Sterimol/B2: 2.27517  Sterimol/B3: 2.53428
  Sterimol/B4: 6.30399  Sterimol/L: 8.94553 
 
 Surface and Volume Properties
  Accessible surface: 312.797  Positive charged surface: 156.704  Negative charged surface: 156.092  Volume: 127.25
  Hydrophobic surface: 167.188  Hydrophilic surface: 145.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.