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


PUBCHEM-ZINC05784887

 MMsINC code: MMs03385031
Type: Neutral
Formula: C12H3Cl5O2
SMILES:   Clc1cc(Cl)c2Oc3c(Oc2c1Cl)c(Cl)ccc3Cl
InChI:   InChI=1/C12H3Cl5O2/c13-4-1-2-5(14)10-9(4)18-11-7(16)3-6(15)8(17)12(11)19-10/h1-3H

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)=58.3176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.419 g/mol  logS: -7.79973  SlogP: 6.8516  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.62245e-07  Sterimol/B1: 2.09729  Sterimol/B2: 2.09794  Sterimol/B3: 4.58361
  Sterimol/B4: 5.8352  Sterimol/L: 13.1738 
 
 Surface and Volume Properties
  Accessible surface: 476.226  Positive charged surface: 123.152  Negative charged surface: 353.073  Volume: 251.5
  Hydrophobic surface: 476.226  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.