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


IBS-ZINC01665127

 MMsINC code: MMs01771736
Type: Neutral
Formula: C4H4N6
SMILES:   [nH]1nc2c(ncnc2N)n1
InChI:   InChI=1/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)

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)=32.6584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.118 g/mol  logS: -0.85616  SlogP: -0.6699  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.08741e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0986  Sterimol/B3: 2.34456
  Sterimol/B4: 5.65653  Sterimol/L: 8.62976 
 
 Surface and Volume Properties
  Accessible surface: 275.814  Positive charged surface: 188.411  Negative charged surface: 87.4037  Volume: 110.75
  Hydrophobic surface: 21.8126  Hydrophilic surface: 254.0014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.