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


NCID-ZINC05028735

 MMsINC code: MMs02429722
Type: Neutral
Formula: C5H7NO5
SMILES:   O(C(=O)C(N=O)C(OC)=O)C
InChI:   InChI=1/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h3H,1-2H3

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)=24.2004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.113 g/mol  logS: -0.8343  SlogP: -0.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090513  Sterimol/B1: 2.32103  Sterimol/B2: 2.7995  Sterimol/B3: 2.95076
  Sterimol/B4: 6.54988  Sterimol/L: 10.3444 
 
 Surface and Volume Properties
  Accessible surface: 345.009  Positive charged surface: 219.766  Negative charged surface: 125.243  Volume: 132.125
  Hydrophobic surface: 264.113  Hydrophilic surface: 80.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.