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


PUBCHEM-ZINC05641264

 MMsINC code: MMs03332439
Type: Neutral
Formula: C6H10O4
SMILES:   O(C(C(OC)=O)C)C(=O)C
InChI:   InChI=1/C6H10O4/c1-4(6(8)9-3)10-5(2)7/h4H,1-3H3/t4-/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)=18.2102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -0.74145  SlogP: 0.111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720404  Sterimol/B1: 2.03233  Sterimol/B2: 2.56746  Sterimol/B3: 3.43936
  Sterimol/B4: 5.04784  Sterimol/L: 11.7721 
 
 Surface and Volume Properties
  Accessible surface: 349.366  Positive charged surface: 238.403  Negative charged surface: 110.963  Volume: 138.875
  Hydrophobic surface: 246.715  Hydrophilic surface: 102.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.