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


NCID-ZINC01698040

 MMsINC code: MMs02328421
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C)CCCC[N+](=O)[O-]
InChI:   InChI=1/C6H11NO4/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3

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)=11.7796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: -1.17032  SlogP: 0.6064  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0423304  Sterimol/B1: 2.45477  Sterimol/B2: 2.49253  Sterimol/B3: 2.54903
  Sterimol/B4: 3.67972  Sterimol/L: 13.595 
 
 Surface and Volume Properties
  Accessible surface: 371.412  Positive charged surface: 220.128  Negative charged surface: 151.284  Volume: 147.375
  Hydrophobic surface: 237.754  Hydrophilic surface: 133.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.