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


PUBCHEM-ZINC05783944

 MMsINC code: MMs03384545
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1cc(Cl)cc(Cl)c1Oc1cc(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C12H4Cl6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H

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)=54.3893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.881 g/mol  logS: -7.57333  SlogP: 7.3993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159905  Sterimol/B1: 3.54589  Sterimol/B2: 5.11028  Sterimol/B3: 5.19341
  Sterimol/B4: 5.95396  Sterimol/L: 14.1145 
 
 Surface and Volume Properties
  Accessible surface: 507.417  Positive charged surface: 85.3457  Negative charged surface: 422.071  Volume: 267.875
  Hydrophobic surface: 507.417  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.