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


NCID-ZINC01586536

 MMsINC code: MMs02242616
Type: Neutral
Formula: C8H2Cl6O2
SMILES:   Clc1c(OC(=O)CCl)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C8H2Cl6O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2

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)=56.1954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.82 g/mol  logS: -6.16777  SlogP: 5.0978  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555741  Sterimol/B1: 2.53346  Sterimol/B2: 3.60714  Sterimol/B3: 4.74948
  Sterimol/B4: 4.74998  Sterimol/L: 13.044 
 
 Surface and Volume Properties
  Accessible surface: 446.055  Positive charged surface: 81.3388  Negative charged surface: 364.716  Volume: 226.25
  Hydrophobic surface: 348.911  Hydrophilic surface: 97.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.