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


NCID-ZINC01681455

 MMsINC code: MMs02315363
Type: Neutral
Formula: C13H5Cl5O2
SMILES:   Clc1cc(Cl)ccc1C(Oc1cc(Cl)c(Cl)cc1Cl)=O
InChI:   InChI=1/C13H5Cl5O2/c14-6-1-2-7(8(15)3-6)13(19)20-12-5-10(17)9(16)4-11(12)18/h1-5H

Download   format file 
Drug Similarity  |  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)=70.6573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.446 g/mol  logS: -7.17039  SlogP: 6.1728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891225  Sterimol/B1: 2.72658  Sterimol/B2: 3.62635  Sterimol/B3: 4.82613
  Sterimol/B4: 5.4693  Sterimol/L: 16.5914 
 
 Surface and Volume Properties
  Accessible surface: 523.143  Positive charged surface: 126.173  Negative charged surface: 396.97  Volume: 271.75
  Hydrophobic surface: 508.816  Hydrophilic surface: 14.327
 
 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.