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


BACHEM-ZINC02384922

 MMsINC code: MMs00482924
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(=O)CNC(=O)C(N)CO
InChI:   InChI=1/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1

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)=38.2956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.75223  SlogP: -2.4932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739692  Sterimol/B1: 2.51493  Sterimol/B2: 2.57982  Sterimol/B3: 3.36424
  Sterimol/B4: 4.37627  Sterimol/L: 11.5682 
 
 Surface and Volume Properties
  Accessible surface: 348.519  Positive charged surface: 241.584  Negative charged surface: 106.935  Volume: 140.125
  Hydrophobic surface: 92.4781  Hydrophilic surface: 256.0409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.