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


PUBCHEM-ZINC06487373

 MMsINC code: MMs03762213
Type: Neutral
Formula: C4H10N2-2
SMILES:   [NH-]C(C([NH-])C)C
InChI:   InChI=1/C4H10N2/c1-3(5)4(2)6/h3-6H,1-2H3/q-2/t3-,4+

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)=31.791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.138 g/mol  logS: 0.32354  SlogP: 0.3292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213174  Sterimol/B1: 2.89376  Sterimol/B2: 3.00922  Sterimol/B3: 3.52551
  Sterimol/B4: 4.03419  Sterimol/L: 8.37241 
 
 Surface and Volume Properties
  Accessible surface: 263.349  Positive charged surface: 169.795  Negative charged surface: 93.554  Volume: 101.875
  Hydrophobic surface: 133.346  Hydrophilic surface: 130.003
 
 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.