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


NCID-ZINC04428362

 MMsINC code: MMs02386750
Type: Neutral
Formula: C16H34NO2+
SMILES:   O(C(=O)C[N+](CCCC)(CCCC)CCCC)CC
InChI:   InChI=1/C16H34NO2/c1-5-9-12-17(13-10-6-2,14-11-7-3)15-16(18)19-8-4/h5-15H2,1-4H3/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)=92.4884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.453 g/mol  logS: -3.22603  SlogP: 3.7666  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109845  Sterimol/B1: 2.36715  Sterimol/B2: 2.96218  Sterimol/B3: 3.06488
  Sterimol/B4: 12.121  Sterimol/L: 15.6485 
 
 Surface and Volume Properties
  Accessible surface: 595.274  Positive charged surface: 464.082  Negative charged surface: 131.192  Volume: 313.625
  Hydrophobic surface: 471.567  Hydrophilic surface: 123.707
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.