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


PUBCHEM-ZINC05113031

 MMsINC code: MMs03201428
Type: Ionized
Formula: C11H30N3+3
SMILES:   [NH3+]C(CCCCC[NH3+])CCCCC[NH3+]
InChI:   InChI=1/C11H27N3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11H,1-10,12-14H2/p+3

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)=15.9924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.382 g/mol  logS: -0.20561  SlogP: -0.7985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288964  Sterimol/B1: 2.7416  Sterimol/B2: 2.8919  Sterimol/B3: 3.22377
  Sterimol/B4: 4.36416  Sterimol/L: 19.2471 
 
 Surface and Volume Properties
  Accessible surface: 532.434  Positive charged surface: 507.618  Negative charged surface: 24.8165  Volume: 246.75
  Hydrophobic surface: 314.802  Hydrophilic surface: 217.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 3
  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:  
   
Parent related molecule:


MMs03201427
PUBCHEM-ZINC05113031