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


PUBCHEM-ZINC05701039

 MMsINC code: MMs03353273
Type: Neutral
Formula: C5H10O3
SMILES:   O(C(OC)CC=O)C
InChI:   InChI=1/C5H10O3/c1-7-5(8-2)3-4-6/h4-5H,3H2,1-2H3

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)=16.3832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.132 g/mol  logS: 0.32898  SlogP: 0.1943  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123532  Sterimol/B1: 2.34207  Sterimol/B2: 2.58204  Sterimol/B3: 3.06944
  Sterimol/B4: 5.42359  Sterimol/L: 9.31279 
 
 Surface and Volume Properties
  Accessible surface: 302.185  Positive charged surface: 239.992  Negative charged surface: 62.1929  Volume: 118.375
  Hydrophobic surface: 219.845  Hydrophilic surface: 82.34
 
 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.