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


NCID-ZINC04578810

 MMsINC code: MMs02391707
Type: Neutral
Formula: C17H40N2+2
SMILES:   [NH+](CCCC)(CCCC)C[NH+](CCCC)CCCC
InChI:   InChI=1/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3/p+2

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)=1.0836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.521 g/mol  logS: -3.21984  SlogP: 1.9141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250728  Sterimol/B1: 2.46618  Sterimol/B2: 2.96185  Sterimol/B3: 6.2523
  Sterimol/B4: 10.7361  Sterimol/L: 16.503 
 
 Surface and Volume Properties
  Accessible surface: 640.252  Positive charged surface: 528.288  Negative charged surface: 111.964  Volume: 346.75
  Hydrophobic surface: 539.073  Hydrophilic surface: 101.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs02391708
NCID-ZINC04578810