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


PUBCHEM-ZINC05502090

 MMsINC code: MMs03289295
Type: Neutral
Formula: C3H8N2-2
SMILES:   [NH-]CCC[NH-]
InChI:   InChI=1/C3H8N2/c4-2-1-3-5/h4-5H,1-3H2/q-2

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)=18.4778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 72.111 g/mol  logS: 0.77619  SlogP: -0.0577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110609  Sterimol/B1: 2.11463  Sterimol/B2: 2.37549  Sterimol/B3: 2.37556
  Sterimol/B4: 2.99874  Sterimol/L: 9.1895 
 
 Surface and Volume Properties
  Accessible surface: 249.603  Positive charged surface: 167.009  Negative charged surface: 82.5936  Volume: 83.125
  Hydrophobic surface: 130.264  Hydrophilic surface: 119.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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.