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


CHEMDIV-ZINC00225661

 MMsINC code: MMs00844451
Type: Neutral
Formula: C15H14Cl2N2
SMILES:   Clc1cc(Cl)ccc1C1N(c2c(N1C)cccc2)C
InChI:   InChI=1/C15H14Cl2N2/c1-18-13-5-3-4-6-14(13)19(2)15(18)11-8-7-10(16)9-12(11)17/h3-9,15H,1-2H3

Download   format file 
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)=170.572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.197 g/mol  logS: -4.50575  SlogP: 4.6737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.387667  Sterimol/B1: 2.37693  Sterimol/B2: 3.29063  Sterimol/B3: 5.51326
  Sterimol/B4: 6.77412  Sterimol/L: 12.4278 
 
 Surface and Volume Properties
  Accessible surface: 479.657  Positive charged surface: 260.51  Negative charged surface: 219.147  Volume: 265
  Hydrophobic surface: 479.369  Hydrophilic surface: 0.28799999999995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.