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


ASINEX-ZINC01470728

 MMsINC code: MMs00255054
Type: Neutral
Formula: C5H8N6O2
SMILES:   O=C(NN)c1nc[nH]c1C(=O)NN
InChI:   InChI=1/C5H8N6O2/c6-10-4(12)2-3(5(13)11-7)9-1-8-2/h1H,6-7H2,(H,8,9)(H,10,12)(H,11,13)

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)=86.855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.159 g/mol  logS: -0.75904  SlogP: -2.3833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00611524  Sterimol/B1: 2.097  Sterimol/B2: 2.25518  Sterimol/B3: 2.56257
  Sterimol/B4: 6.36217  Sterimol/L: 12.0062 
 
 Surface and Volume Properties
  Accessible surface: 357.014  Positive charged surface: 260.14  Negative charged surface: 96.8739  Volume: 150.25
  Hydrophobic surface: 69.5399  Hydrophilic surface: 287.4741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: no related molecules available.