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


PUBCHEM-ZINC01847883

 MMsINC code: MMs02824693
Type: Ionized
Formula: C10H27N3+2
SMILES:   [NH2+](CCN(CC[NH2+]CC)CC)CC
InChI:   InChI=1/C10H25N3/c1-4-11-7-9-13(6-3)10-8-12-5-2/h11-12H,4-10H2,1-3H3/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)=37.3887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.347 g/mol  logS: 0.04484  SlogP: -1.5251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537218  Sterimol/B1: 2.47897  Sterimol/B2: 2.99645  Sterimol/B3: 3.16834
  Sterimol/B4: 7.86071  Sterimol/L: 15.7046 
 
 Surface and Volume Properties
  Accessible surface: 497.955  Positive charged surface: 434.56  Negative charged surface: 63.395  Volume: 235.875
  Hydrophobic surface: 361.079  Hydrophilic surface: 136.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs02824692
PUBCHEM-ZINC01847883