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


PUBCHEM-ZINC05113428

 MMsINC code: MMs03201684
Type: Neutral
Formula: C11H29N5
SMILES:   N(CCCNCCNCCCN)CCCN
InChI:   InChI=1/C11H29N5/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h14-16H,1-13H2

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)=-7.31735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.388 g/mol  logS: 1.12061  SlogP: -1.1571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013364  Sterimol/B1: 2.15481  Sterimol/B2: 2.44974  Sterimol/B3: 2.48048
  Sterimol/B4: 3.14594  Sterimol/L: 22.6661 
 
 Surface and Volume Properties
  Accessible surface: 584.054  Positive charged surface: 527.127  Negative charged surface: 56.9269  Volume: 269.5
  Hydrophobic surface: 395.208  Hydrophilic surface: 188.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03201685
PUBCHEM-ZINC05113428