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


PUBCHEM-ZINC03636722

 MMsINC code: MMs03030098
Type: Neutral
Formula: C6H10O5
SMILES:   O(CC(OC)=O)CC(OC)=O
InChI:   InChI=1/C6H10O5/c1-9-5(7)3-11-4-6(8)10-2/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)=41.3486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: -0.54952  SlogP: -0.651  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0249692  Sterimol/B1: 2.37523  Sterimol/B2: 2.3755  Sterimol/B3: 2.51321
  Sterimol/B4: 3.46268  Sterimol/L: 14.3332 
 
 Surface and Volume Properties
  Accessible surface: 374.565  Positive charged surface: 297.27  Negative charged surface: 77.2957  Volume: 146.875
  Hydrophobic surface: 269.567  Hydrophilic surface: 104.998
 
 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.