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


NCID-ZINC04706423

 MMsINC code: MMs02395043
Type: Neutral
Formula: C16H34Cl2N2
SMILES:   ClCCN(CCCCCCCCCCN(CCCl)C)C
InChI:   InChI=1/C16H34Cl2N2/c1-19(15-11-17)13-9-7-5-3-4-6-8-10-14-20(2)16-12-18/h3-16H2,1-2H3

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)=35.8606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.368 g/mol  logS: -3.78484  SlogP: 4.4484  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0214473  Sterimol/B1: 2.15025  Sterimol/B2: 2.32522  Sterimol/B3: 4.00748
  Sterimol/B4: 4.08794  Sterimol/L: 25.452 
 
 Surface and Volume Properties
  Accessible surface: 682.662  Positive charged surface: 509.552  Negative charged surface: 173.111  Volume: 348.125
  Hydrophobic surface: 533.513  Hydrophilic surface: 149.149
 
 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


MMs02395044
NCID-ZINC04706423