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


PUBCHEM-ZINC06095416

 MMsINC code: MMs03541492
Type: Neutral
Formula: C12H7Cl3O
SMILES:   Clc1cc(Cl)ccc1Oc1ccccc1Cl
InChI:   InChI=1/C12H7Cl3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H

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)=54.3354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.546 g/mol  logS: -5.37046  SlogP: 5.4391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146129  Sterimol/B1: 2.40365  Sterimol/B2: 4.13451  Sterimol/B3: 4.8971
  Sterimol/B4: 5.87946  Sterimol/L: 12.9727 
 
 Surface and Volume Properties
  Accessible surface: 439.622  Positive charged surface: 145.594  Negative charged surface: 294.028  Volume: 223.5
  Hydrophobic surface: 439.622  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.