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


PUBCHEM-ZINC04699182

 MMsINC code: MMs03159238
Type: Neutral
Formula: C18H19Cl4N
SMILES:   Clc1cc(Cl)ccc1CN(Cc1ccc(Cl)cc1Cl)CCCC
InChI:   InChI=1/C18H19Cl4N/c1-2-3-8-23(11-13-4-6-15(19)9-17(13)21)12-14-5-7-16(20)10-18(14)22/h4-7,9-10H,2-3,8,11-12H2,1H3

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)=50.7837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.169 g/mol  logS: -7.00559  SlogP: 7.6353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217798  Sterimol/B1: 2.35008  Sterimol/B2: 3.12913  Sterimol/B3: 4.56327
  Sterimol/B4: 10.5337  Sterimol/L: 14.4283 
 
 Surface and Volume Properties
  Accessible surface: 600.184  Positive charged surface: 277.804  Negative charged surface: 322.38  Volume: 348
  Hydrophobic surface: 567.235  Hydrophilic surface: 32.949
 
 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


MMs03159239
PUBCHEM-ZINC04699182