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


PUBCHEM-ZINC06379619

 MMsINC code: MMs03692923
Type: Neutral
Formula: C11H22NO+
SMILES:   O=[C+]CC(N(CC)CC)CCCC
InChI:   InChI=1/C11H22NO/c1-4-7-8-11(9-10-13)12(5-2)6-3/h11H,4-9H2,1-3H3/q+1/t11-/m0/s1

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)=78.5644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.303 g/mol  logS: -1.98996  SlogP: 2.3868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301894  Sterimol/B1: 3.66214  Sterimol/B2: 3.84697  Sterimol/B3: 4.48609
  Sterimol/B4: 4.78724  Sterimol/L: 12.2884 
 
 Surface and Volume Properties
  Accessible surface: 422.904  Positive charged surface: 311.4  Negative charged surface: 111.503  Volume: 215.125
  Hydrophobic surface: 302.952  Hydrophilic surface: 119.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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


MMs03692924
PUBCHEM-ZINC06379619