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


PUBCHEM-ZINC02025412

 MMsINC code: MMs02857684
Type: Neutral
Formula: C4H8N2O4
SMILES:   O(C(=O)C(O)NC(=O)N)C
InChI:   InChI=1/C4H8N2O4/c1-10-3(8)2(7)6-4(5)9/h2,7H,1H3,(H3,5,6,9)/t2-/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)=-4.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.20332  SlogP: -1.8539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106227  Sterimol/B1: 2.39363  Sterimol/B2: 3.21013  Sterimol/B3: 3.32569
  Sterimol/B4: 4.27264  Sterimol/L: 10.7829 
 
 Surface and Volume Properties
  Accessible surface: 324.166  Positive charged surface: 229.555  Negative charged surface: 94.611  Volume: 123.875
  Hydrophobic surface: 104.911  Hydrophilic surface: 219.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.