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


NCID-ZINC05353536

 MMsINC code: MMs02454619
Type: Tautomer
Formula: C16H14Cl4N2
SMILES:   Clc1cc(ccc1)C(Cl)(N=NC(Cl)(C)c1ccc(Cl)cc1)C
InChI:   InChI=1/C16H14Cl4N2/c1-15(19,11-6-8-13(17)9-7-11)21-22-16(2,20)12-4-3-5-14(18)10-12/h3-10H,1-2H3/b22-21-/t15-,16-/m1/s1

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)=605.082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.114 g/mol  logS: -6.93124  SlogP: 7.5918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22936  Sterimol/B1: 1.99029  Sterimol/B2: 2.88616  Sterimol/B3: 6.18991
  Sterimol/B4: 7.29128  Sterimol/L: 14.726 
 
 Surface and Volume Properties
  Accessible surface: 529.796  Positive charged surface: 225.771  Negative charged surface: 304.025  Volume: 300.125
  Hydrophobic surface: 456.59  Hydrophilic surface: 73.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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:  
   
Parent related molecule:


MMs02454618
NCID-ZINC05353536