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


ASINEX-ZINC03207429

MMsINC code: MMs00288167

Type: Tautomer
Formula: C15H31N2+
SMILES:   [N+](CC)(CC)(CC)C\C=C\CN1CCCCC1
InChI:   InChI=1/C15H31N2/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h10-11H,4-9,12-15H2,1-3H3/q+1/b11-10+

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)=63.7892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.427 g/mol  logS: -1.49754  SlogP: 2.905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952501  Sterimol/B1: 2.89449  Sterimol/B2: 3.04318  Sterimol/B3: 3.96992
  Sterimol/B4: 5.64206  Sterimol/L: 14.3698 
 
 Surface and Volume Properties
  Accessible surface: 501.336  Positive charged surface: 407.943  Negative charged surface: 93.3925  Volume: 282.75
  Hydrophobic surface: 406.153  Hydrophilic surface: 95.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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:


MMs00288166
ASINEX-ZINC03207429