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


PUBCHEM-ZINC05784884

 MMsINC code: MMs03385030
Type: Neutral
Formula: C12H2Cl6O2
SMILES:   Clc1c(Cl)c(Cl)c2Oc3c(Oc2c1Cl)c(Cl)ccc3Cl
InChI:   InChI=1/C12H2Cl6O2/c13-3-1-2-4(14)10-9(3)19-11-7(17)5(15)6(16)8(18)12(11)20-10/h1-2H

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)=65.2057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.864 g/mol  logS: -8.53402  SlogP: 7.505  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.23685e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09961  Sterimol/B3: 4.47496
  Sterimol/B4: 5.8578  Sterimol/L: 13.1237 
 
 Surface and Volume Properties
  Accessible surface: 492.02  Positive charged surface: 112.977  Negative charged surface: 379.043  Volume: 266.375
  Hydrophobic surface: 492.02  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.