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


PUBCHEM-ZINC05284483

 MMsINC code: MMs03232482
Type: Neutral
Formula: C8H16N2O4
SMILES:   O(C(=O)NC(NC(OC)=O)C(C)C)C
InChI:   InChI=1/C8H16N2O4/c1-5(2)6(9-7(11)13-3)10-8(12)14-4/h5-6H,1-4H3,(H,9,11)(H,10,12)

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)=-33.7216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -0.7008  SlogP: 0.6805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107983  Sterimol/B1: 2.55121  Sterimol/B2: 2.56591  Sterimol/B3: 3.26716
  Sterimol/B4: 7.46524  Sterimol/L: 12.1943 
 
 Surface and Volume Properties
  Accessible surface: 433.176  Positive charged surface: 339.601  Negative charged surface: 93.5753  Volume: 196.5
  Hydrophobic surface: 289.956  Hydrophilic surface: 143.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.