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


NCID-ZINC04809141

 MMsINC code: MMs02409242
Type: Neutral
Formula: C2H4N2O3
SMILES:   O=C(NO)C(=O)N
InChI:   InChI=1/C2H4N2O3/c3-1(5)2(6)4-7/h7H,(H2,3,5)(H,4,6)

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)=40.4157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 104.065 g/mol  logS: 0.04895  SlogP: -2.0229  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.06473e-06  Sterimol/B1: 1.992  Sterimol/B2: 1.99403  Sterimol/B3: 2.95707
  Sterimol/B4: 3.77893  Sterimol/L: 9.07863 
 
 Surface and Volume Properties
  Accessible surface: 238.175  Positive charged surface: 136.716  Negative charged surface: 101.459  Volume: 78.5
  Hydrophobic surface: 0  Hydrophilic surface: 238.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.