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


PUBCHEM-ZINC05841486

 MMsINC code: MMs03411015
Type: Neutral
Formula: C14H29N3
SMILES:   NC(CCN1CCCCC1)CN1CCCCC1
InChI:   InChI=1/C14H29N3/c15-14(13-17-10-5-2-6-11-17)7-12-16-8-3-1-4-9-16/h14H,1-13,15H2/t14-/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)=25.2903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.407 g/mol  logS: -0.78775  SlogP: 1.6756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653276  Sterimol/B1: 3.40707  Sterimol/B2: 3.54596  Sterimol/B3: 3.91658
  Sterimol/B4: 4.21601  Sterimol/L: 16.5301 
 
 Surface and Volume Properties
  Accessible surface: 518.485  Positive charged surface: 453.728  Negative charged surface: 64.7572  Volume: 273.625
  Hydrophobic surface: 472.29  Hydrophilic surface: 46.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03411016
PUBCHEM-ZINC05841486