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


NCID-ZINC01581847

 MMsINC code: MMs02239080
Type: Neutral
Formula: C4H4N4O
SMILES:   ON=Nc1ncccn1
InChI:   InChI=1/C4H4N4O/c9-8-7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7,9)

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)=18.6251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.103 g/mol  logS: -0.67887  SlogP: 0.9495  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.96127e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09867  Sterimol/B3: 3.50029
  Sterimol/B4: 3.59749  Sterimol/L: 10.6009 
 
 Surface and Volume Properties
  Accessible surface: 283.986  Positive charged surface: 171.18  Negative charged surface: 112.805  Volume: 106.5
  Hydrophobic surface: 178.656  Hydrophilic surface: 105.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.