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


PUBCHEM-ZINC06116041

 MMsINC code: MMs03544926
Type: Neutral
Formula: C12H8Cl2O
SMILES:   Clc1cc(Oc2ccccc2)ccc1Cl
InChI:   InChI=1/C12H8Cl2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H

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)=52.6003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.101 g/mol  logS: -4.63617  SlogP: 4.7857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144922  Sterimol/B1: 3.05883  Sterimol/B2: 3.47926  Sterimol/B3: 4.64235
  Sterimol/B4: 4.6667  Sterimol/L: 13.2717 
 
 Surface and Volume Properties
  Accessible surface: 421.884  Positive charged surface: 168.507  Negative charged surface: 253.377  Volume: 209.375
  Hydrophobic surface: 421.884  Hydrophilic surface: 0
 
 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.