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


PUBCHEM-ZINC05828198

 MMsINC code: MMs03403750
Type: Neutral
Formula: C2H5N2O-
SMILES:   O=C(N)C[NH-]
InChI:   InChI=1/C2H5N2O/c3-1-2(4)5/h3H,1H2,(H2,4,5)/q-1

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)=28.4538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 73.075 g/mol  logS: 0.41515  SlogP: -1.2454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607926  Sterimol/B1: 2.12681  Sterimol/B2: 2.37479  Sterimol/B3: 2.37532
  Sterimol/B4: 3.74794  Sterimol/L: 7.92546 
 
 Surface and Volume Properties
  Accessible surface: 217.09  Positive charged surface: 137.522  Negative charged surface: 79.5676  Volume: 69.125
  Hydrophobic surface: 47.9518  Hydrophilic surface: 169.1382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 1  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.