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


CHEMBRIDGE-ZINC02497378

 MMsINC code: MMs00711639
Type: Tautomer
Formula: C18H36N2
SMILES:   N(CCN(CCC=1C(CCCC=1C)(C)C)C)(CC)CC
InChI:   InChI=1/C18H36N2/c1-7-20(8-2)15-14-19(6)13-11-17-16(3)10-9-12-18(17,4)5/h7-15H2,1-6H3

Download   format file 
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)=82.1967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.5 g/mol  logS: -3.36893  SlogP: 4.1767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985323  Sterimol/B1: 2.37918  Sterimol/B2: 2.65431  Sterimol/B3: 5.23341
  Sterimol/B4: 6.91338  Sterimol/L: 15.9404 
 
 Surface and Volume Properties
  Accessible surface: 589.67  Positive charged surface: 467.35  Negative charged surface: 122.32  Volume: 333.875
  Hydrophobic surface: 508.512  Hydrophilic surface: 81.158
 
 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:  
   
Parent related molecule:


MMs00711638
CHEMBRIDGE-ZINC02497378