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


NCID-ZINC01709077

 MMsINC code: MMs02336739
Type: Neutral
Formula: C9H22N+
SMILES:   [N+](CC(CC)CC)(C)(C)C
InChI:   InChI=1/C9H22N/c1-6-9(7-2)8-10(3,4)5/h9H,6-8H2,1-5H3/q+1

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)=64.2746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.282 g/mol  logS: -1.11924  SlogP: 2.1288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242254  Sterimol/B1: 2.48684  Sterimol/B2: 3.04447  Sterimol/B3: 3.59184
  Sterimol/B4: 6.41317  Sterimol/L: 9.95129 
 
 Surface and Volume Properties
  Accessible surface: 364.963  Positive charged surface: 312.216  Negative charged surface: 52.7464  Volume: 182.875
  Hydrophobic surface: 270.552  Hydrophilic surface: 94.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:  
   

Ions/Tautomers related molecules: no related molecules available.