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


PUBCHEM-ZINC02523005

 MMsINC code: MMs02893409
Type: Neutral
Formula: C14H31N3
SMILES:   N(CCCN(CC)CC)C1CCN(CC1)CC
InChI:   InChI=1/C14H31N3/c1-4-16(5-2)11-7-10-15-14-8-12-17(6-3)13-9-14/h14-15H,4-13H2,1-3H3

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)=11.6061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.423 g/mol  logS: -0.88904  SlogP: 1.7922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586485  Sterimol/B1: 2.45958  Sterimol/B2: 3.53827  Sterimol/B3: 4.7327
  Sterimol/B4: 5.05861  Sterimol/L: 17.1379 
 
 Surface and Volume Properties
  Accessible surface: 557.049  Positive charged surface: 467.342  Negative charged surface: 89.7069  Volume: 286
  Hydrophobic surface: 471.789  Hydrophilic surface: 85.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02893410
PUBCHEM-ZINC02523005