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


CHEMBRIDGE-ZINC03684082

 MMsINC code: MMs00754526
Type: Neutral
Formula: C13H28N2
SMILES:   N(CCN(C)C)(CC)C1CCCCCC1
InChI:   InChI=1/C13H28N2/c1-4-15(12-11-14(2)3)13-9-7-5-6-8-10-13/h13H,4-12H2,1-3H3

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)=60.0656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.381 g/mol  logS: -1.69989  SlogP: 2.5927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1741  Sterimol/B1: 2.32307  Sterimol/B2: 3.98498  Sterimol/B3: 3.99255
  Sterimol/B4: 7.13231  Sterimol/L: 13.141 
 
 Surface and Volume Properties
  Accessible surface: 470.295  Positive charged surface: 402.186  Negative charged surface: 68.1091  Volume: 251.25
  Hydrophobic surface: 444.8  Hydrophilic surface: 25.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00754527
CHEMBRIDGE-ZINC03684082