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


CHEMBRIDGE-ZINC02932409

 MMsINC code: MMs00742257
Type: Neutral
Formula: C13H16Cl3NO2
SMILES:   Clc1cc(Cl)cc(Cl)c1OCCCN1CCOCC1
InChI:   InChI=1/C13H16Cl3NO2/c14-10-8-11(15)13(12(16)9-10)19-5-1-2-17-3-6-18-7-4-17/h8-9H,1-7H2

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)=61.8259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.635 g/mol  logS: -4.02927  SlogP: 3.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475019  Sterimol/B1: 3.2185  Sterimol/B2: 3.28773  Sterimol/B3: 3.71771
  Sterimol/B4: 5.7873  Sterimol/L: 17.069 
 
 Surface and Volume Properties
  Accessible surface: 536.328  Positive charged surface: 295.955  Negative charged surface: 240.373  Volume: 277.375
  Hydrophobic surface: 515.72  Hydrophilic surface: 20.608
 
 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


MMs00742258
CHEMBRIDGE-ZINC02932409