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


PUBCHEM-ZINC05835294

 MMsINC code: MMs03407702
Type: Neutral
Formula: C8H16O4
SMILES:   O(C(=O)C(CO)(CO)C)CCC
InChI:   InChI=1/C8H16O4/c1-3-4-12-7(11)8(2,5-9)6-10/h9-10H,3-6H2,1-2H3

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)=15.0745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.212 g/mol  logS: -0.08086  SlogP: -0.0695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129261  Sterimol/B1: 3.2538  Sterimol/B2: 3.60932  Sterimol/B3: 3.67851
  Sterimol/B4: 4.4548  Sterimol/L: 12.9154 
 
 Surface and Volume Properties
  Accessible surface: 401.042  Positive charged surface: 309.377  Negative charged surface: 91.6646  Volume: 178.125
  Hydrophobic surface: 248.732  Hydrophilic surface: 152.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.