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


NCID-ZINC05566964

 MMsINC code: MMs02475804
Type: Tautomer
Formula: C14H34N4+4
SMILES:   [NH2+](CC[NH2+]C1CCCCC1[NH3+])C1CCCCC1[NH3+]
InChI:   InChI=1/C14H30N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h11-14,17-18H,1-10,15-16H2/p+4/t11-,12+,13-,14-/m1/s1

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)=150.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -0.32142  SlogP: -2.7806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583613  Sterimol/B1: 3.26079  Sterimol/B2: 3.36362  Sterimol/B3: 4.33254
  Sterimol/B4: 5.16812  Sterimol/L: 16.7812 
 
 Surface and Volume Properties
  Accessible surface: 556.114  Positive charged surface: 508.966  Negative charged surface: 47.1479  Volume: 296.125
  Hydrophobic surface: 393.937  Hydrophilic surface: 162.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  Chiral centers: 4
 
 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:  
   
Parent related molecule:


MMs02475803
NCID-ZINC05566964