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


PUBCHEM-ZINC02029199

 MMsINC code: MMs02858438
Type: Ionized
Formula: C15H26N2+2
SMILES:   [NH3+]CCCCCC[NH+]1CCc2c(C1)cccc2
InChI:   InChI=1/C15H24N2/c16-10-5-1-2-6-11-17-12-9-14-7-3-4-8-15(14)13-17/h3-4,7-8H,1-2,5-6,9-13,16H2/p+2

Download   format file 
Drug Similarity  |  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)=35.4701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -1.88986  SlogP: 0.69627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297087  Sterimol/B1: 2.69046  Sterimol/B2: 3.42448  Sterimol/B3: 3.51687
  Sterimol/B4: 5.65888  Sterimol/L: 17.937 
 
 Surface and Volume Properties
  Accessible surface: 529.054  Positive charged surface: 435.742  Negative charged surface: 93.3119  Volume: 271.875
  Hydrophobic surface: 426.813  Hydrophilic surface: 102.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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:


MMs02858437
PUBCHEM-ZINC02029199