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


PUBCHEM-ZINC05836318

 MMsINC code: MMs03408196
Type: Neutral
Formula: C9H7Cl5O
SMILES:   Clc1c(OCCC)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C9H7Cl5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2-3H2,1H3

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)=46.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.419 g/mol  logS: -5.63569  SlogP: 5.7424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540569  Sterimol/B1: 2.23002  Sterimol/B2: 3.28569  Sterimol/B3: 4.74775
  Sterimol/B4: 4.75072  Sterimol/L: 13.5794 
 
 Surface and Volume Properties
  Accessible surface: 452.413  Positive charged surface: 149.747  Negative charged surface: 302.667  Volume: 229.25
  Hydrophobic surface: 424.46  Hydrophilic surface: 27.953
 
 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.