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


NCID-ZINC01603579

 MMsINC code: MMs02256229
Type: Neutral
Formula: C5H10O4
SMILES:   O(C(C(OC)=O)CO)C
InChI:   InChI=1/C5H10O4/c1-8-4(3-6)5(7)9-2/h4,6H,3H2,1-2H3/t4-/m0/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)=34.4866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.06119  SlogP: -0.8333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0945283  Sterimol/B1: 2.09966  Sterimol/B2: 2.68444  Sterimol/B3: 2.82157
  Sterimol/B4: 6.12671  Sterimol/L: 9.47444 
 
 Surface and Volume Properties
  Accessible surface: 325.884  Positive charged surface: 271.443  Negative charged surface: 54.4406  Volume: 124.875
  Hydrophobic surface: 233.186  Hydrophilic surface: 92.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.