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


PUBCHEM-ZINC03650395

 MMsINC code: MMs03033825
Type: Neutral
Formula: C5H8O5
SMILES:   OC(C(O)C(O)=O)C(=O)C
InChI:   InChI=1/C5H8O5/c1-2(6)3(7)4(8)5(9)10/h3-4,7-8H,1H3,(H,9,10)/t3-,4+/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)=26.2985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.114 g/mol  logS: 0.47999  SlogP: -1.6182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186559  Sterimol/B1: 2.53705  Sterimol/B2: 3.0657  Sterimol/B3: 3.36236
  Sterimol/B4: 3.97094  Sterimol/L: 9.46554 
 
 Surface and Volume Properties
  Accessible surface: 305.877  Positive charged surface: 168.964  Negative charged surface: 136.913  Volume: 122.875
  Hydrophobic surface: 103.228  Hydrophilic surface: 202.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03033826
PUBCHEM-ZINC03650395