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


PUBCHEM-ZINC05848806

 MMsINC code: MMs03415450
Type: Neutral
Formula: C5H10N2-2
SMILES:   [NH-]C1CCCC1[NH-]
InChI:   InChI=1/C5H10N2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/q-2/t4-,5+

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)=67.0306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.149 g/mol  logS: 0.22381  SlogP: 0.4733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.319553  Sterimol/B1: 2.12575  Sterimol/B2: 2.93658  Sterimol/B3: 2.94671
  Sterimol/B4: 5.48876  Sterimol/L: 7.86908 
 
 Surface and Volume Properties
  Accessible surface: 275.098  Positive charged surface: 197.814  Negative charged surface: 77.2842  Volume: 109.875
  Hydrophobic surface: 179.414  Hydrophilic surface: 95.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.