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


PUBCHEM-ZINC01529509

MMsINC code: MMs02812906

Type: Neutral
Formula: C5H14N2
SMILES:   N(CCCCN)C
InChI:   InChI=1/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3

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)=-4.46302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.181 g/mol  logS: 0.54762  SlogP: -0.0553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562126  Sterimol/B1: 2.54511  Sterimol/B2: 2.60303  Sterimol/B3: 2.75296
  Sterimol/B4: 3.03798  Sterimol/L: 11.8535 
 
 Surface and Volume Properties
  Accessible surface: 321.158  Positive charged surface: 290.532  Negative charged surface: 30.6256  Volume: 125.25
  Hydrophobic surface: 226.205  Hydrophilic surface: 94.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02812907
PUBCHEM-ZINC01529509