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


PUBCHEM-ZINC03869505

 MMsINC code: MMs03078601
Type: Neutral
Formula: C5H10O4
SMILES:   OC(C(O)CO)C(=O)C
InChI:   InChI=1/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3/t4-,5+/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)=35.6594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.67837  SlogP: -1.7105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124147  Sterimol/B1: 2.63722  Sterimol/B2: 2.89607  Sterimol/B3: 2.93382
  Sterimol/B4: 4.40637  Sterimol/L: 10.2025 
 
 Surface and Volume Properties
  Accessible surface: 301.124  Positive charged surface: 197.846  Negative charged surface: 103.278  Volume: 122.25
  Hydrophobic surface: 138.355  Hydrophilic surface: 162.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.