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


ASINEX-ZINC00279564

 MMsINC code: MMs00106860
Type: Neutral
Formula: C14H22Cl2N2
SMILES:   Clc1c(cccc1Cl)CN(CCN(CC)CC)C
InChI:   InChI=1/C14H22Cl2N2/c1-4-18(5-2)10-9-17(3)11-12-7-6-8-13(15)14(12)16/h6-8H,4-5,9-11H2,1-3H3

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)=58.2895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.25 g/mol  logS: -3.27722  SlogP: 4.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837637  Sterimol/B1: 2.04437  Sterimol/B2: 3.98494  Sterimol/B3: 4.11746
  Sterimol/B4: 6.56968  Sterimol/L: 15.0061 
 
 Surface and Volume Properties
  Accessible surface: 535.823  Positive charged surface: 335.665  Negative charged surface: 200.158  Volume: 285.625
  Hydrophobic surface: 485.546  Hydrophilic surface: 50.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00106861
ASINEX-ZINC00279564