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


PUBCHEM-ZINC05133599

 MMsINC code: MMs03208517
Type: Neutral
Formula: C13H26N2
SMILES:   NC(N)(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C13H26N2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10,14-15H2

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)=2.90368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -3.37796  SlogP: 2.7607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172564  Sterimol/B1: 2.98525  Sterimol/B2: 3.05595  Sterimol/B3: 3.60505
  Sterimol/B4: 4.54054  Sterimol/L: 12.6599 
 
 Surface and Volume Properties
  Accessible surface: 428.829  Positive charged surface: 347.232  Negative charged surface: 81.5967  Volume: 236.125
  Hydrophobic surface: 358.637  Hydrophilic surface: 70.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03208518
PUBCHEM-ZINC05133599