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


PUBCHEM-ZINC06091211

 MMsINC code: MMs03537194
Type: Neutral
Formula: C12H4Cl6O2
SMILES:   Clc1c(Oc2cc(Cl)c(O)c(Cl)c2)c(Cl)cc(Cl)c1Cl
InChI:   InChI=1/C12H4Cl6O2/c13-5-3-8(16)12(10(18)9(5)17)20-4-1-6(14)11(19)7(15)2-4/h1-3,19H

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)=69.1985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.88 g/mol  logS: -7.21138  SlogP: 7.1049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151532  Sterimol/B1: 2.53637  Sterimol/B2: 4.45125  Sterimol/B3: 4.71827
  Sterimol/B4: 6.26759  Sterimol/L: 14.3019 
 
 Surface and Volume Properties
  Accessible surface: 516.477  Positive charged surface: 105.078  Negative charged surface: 411.399  Volume: 274.5
  Hydrophobic surface: 475.419  Hydrophilic surface: 41.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.