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


PUBCHEM-ZINC05784757

 MMsINC code: MMs03384972
Type: Neutral
Formula: C12H5Cl5O
SMILES:   Clc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C12H5Cl5O/c13-7-2-1-6(3-8(7)14)18-12-5-10(16)9(15)4-11(12)17/h1-5H

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)=59.0266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -6.83904  SlogP: 6.7459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112994  Sterimol/B1: 2.58264  Sterimol/B2: 3.60623  Sterimol/B3: 4.80721
  Sterimol/B4: 6.22095  Sterimol/L: 14.1131 
 
 Surface and Volume Properties
  Accessible surface: 491.127  Positive charged surface: 112.252  Negative charged surface: 378.876  Volume: 254
  Hydrophobic surface: 491.127  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.