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


PUBCHEM-ZINC02018298

 MMsINC code: MMs02853995
Type: Neutral
Formula: C8H7Cl3O2
SMILES:   Clc1c(OC)c(OC)cc(Cl)c1Cl
InChI:   InChI=1/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3

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)=56.2757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.501 g/mol  logS: -3.68851  SlogP: 3.664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636137  Sterimol/B1: 2.55284  Sterimol/B2: 2.72827  Sterimol/B3: 3.19318
  Sterimol/B4: 7.00394  Sterimol/L: 9.91338 
 
 Surface and Volume Properties
  Accessible surface: 395.643  Positive charged surface: 200.191  Negative charged surface: 195.451  Volume: 189.125
  Hydrophobic surface: 380.862  Hydrophilic surface: 14.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.