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


PUBCHEM-ZINC06620297

 MMsINC code: MMs03822805
Type: Neutral
Formula: C10H21N3O
SMILES:   OCCCCCCCCCCN=[N+]=[N-]
InChI:   InChI=1/C10H21N3O/c11-13-12-9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2

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)=11.8655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.298 g/mol  logS: -2.42208  SlogP: 3.4098  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0279532  Sterimol/B1: 2.2588  Sterimol/B2: 2.68149  Sterimol/B3: 3.12742
  Sterimol/B4: 3.2811  Sterimol/L: 19.2099 
 
 Surface and Volume Properties
  Accessible surface: 489.536  Positive charged surface: 354.338  Negative charged surface: 135.197  Volume: 218.75
  Hydrophobic surface: 340.446  Hydrophilic surface: 149.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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.