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


PUBCHEM-ZINC03875876

 MMsINC code: MMs03083141
Type: Neutral
Formula: C6H8O6
SMILES:   O(C(O)C(=O)C(=O)C(OC)=O)C
InChI:   InChI=1/C6H8O6/c1-11-5(9)3(7)4(8)6(10)12-2/h5,9H,1-2H3/t5-/m1/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)=41.2201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.124 g/mol  logS: -0.48224  SlogP: -1.7376  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0324818  Sterimol/B1: 2.40487  Sterimol/B2: 3.03104  Sterimol/B3: 3.07872
  Sterimol/B4: 3.64003  Sterimol/L: 13.0322 
 
 Surface and Volume Properties
  Accessible surface: 357.132  Positive charged surface: 255.527  Negative charged surface: 101.605  Volume: 146.5
  Hydrophobic surface: 196.535  Hydrophilic surface: 160.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.