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


NCID-ZINC04773048

 MMsINC code: MMs02403215
Type: Neutral
Formula: C4H7NO4
SMILES:   OC(=O)CCC(=O)NO
InChI:   InChI=1/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)

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)=17.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.103 g/mol  logS: 0.56783  SlogP: -0.6434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322349  Sterimol/B1: 2.37493  Sterimol/B2: 2.37526  Sterimol/B3: 2.7748
  Sterimol/B4: 3.74498  Sterimol/L: 11.5373 
 
 Surface and Volume Properties
  Accessible surface: 301.239  Positive charged surface: 184.675  Negative charged surface: 116.564  Volume: 110.75
  Hydrophobic surface: 73.4234  Hydrophilic surface: 227.8156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02403216
NCID-ZINC04773048