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


NCID-ZINC05121087

 MMsINC code: MMs02443289
Type: Neutral
Formula: C5H10N2O3
SMILES:   O(C(=O)CN(N=O)C)CC
InChI:   InChI=1/C5H10N2O3/c1-3-10-5(8)4-7(2)6-9/h3-4H2,1-2H3

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)=32.3439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: -0.52621  SlogP: 0.1627  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.090586  Sterimol/B1: 2.97141  Sterimol/B2: 3.13362  Sterimol/B3: 3.29186
  Sterimol/B4: 3.34251  Sterimol/L: 11.6777 
 
 Surface and Volume Properties
  Accessible surface: 343.398  Positive charged surface: 232.579  Negative charged surface: 110.819  Volume: 136.5
  Hydrophobic surface: 283.74  Hydrophilic surface: 59.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.