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


NCID-ZINC04692071

 MMsINC code: MMs02393700
Type: Neutral
Formula: C4H4N4O3
SMILES:   O=C1NC(=O)NC=C1NN=O
InChI:   InChI=1/C4H4N4O3/c9-3-2(7-8-11)1-5-4(10)6-3/h1H,(H,7,11)(H2,5,6,9,10)

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)=-1.2004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.101 g/mol  logS: -0.60331  SlogP: -1.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.03062e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09792  Sterimol/B3: 2.39736
  Sterimol/B4: 5.28089  Sterimol/L: 10.7905 
 
 Surface and Volume Properties
  Accessible surface: 293.345  Positive charged surface: 127.17  Negative charged surface: 166.175  Volume: 115.375
  Hydrophobic surface: 111.155  Hydrophilic surface: 182.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.