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


PUBCHEM-ZINC05794631

 MMsINC code: MMs03389243
Type: Neutral
Formula: C14H20Cl3NO2
SMILES:   Clc1cc(Cl)cc(Cl)c1OCCOCCN(CC)CC
InChI:   InChI=1/C14H20Cl3NO2/c1-3-18(4-2)5-6-19-7-8-20-14-12(16)9-11(15)10-13(14)17/h9-10H,3-8H2,1-2H3

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)=71.6835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.678 g/mol  logS: -4.33308  SlogP: 4.384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477472  Sterimol/B1: 2.98398  Sterimol/B2: 3.60911  Sterimol/B3: 4.00994
  Sterimol/B4: 5.55045  Sterimol/L: 16.8698 
 
 Surface and Volume Properties
  Accessible surface: 571.579  Positive charged surface: 323.203  Negative charged surface: 248.376  Volume: 307
  Hydrophobic surface: 523.621  Hydrophilic surface: 47.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03389244
PUBCHEM-ZINC05794631