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


PUBCHEM-ZINC05819431

 MMsINC code: MMs03398524
Type: Neutral
Formula: C6H14N2
SMILES:   N(=NCCC)CCC
InChI:   InChI=1/C6H14N2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3/b8-7+

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)=3.82818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.192 g/mol  logS: -0.68792  SlogP: 2.2586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544803  Sterimol/B1: 2.3749  Sterimol/B2: 2.84157  Sterimol/B3: 3.10006
  Sterimol/B4: 3.62457  Sterimol/L: 12.0362 
 
 Surface and Volume Properties
  Accessible surface: 353.297  Positive charged surface: 272.997  Negative charged surface: 80.2999  Volume: 139.625
  Hydrophobic surface: 285.919  Hydrophilic surface: 67.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.