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


PUBCHEM-ZINC05735157

 MMsINC code: MMs03365204
Type: Neutral
Formula: C10H22O4
SMILES:   O(C(COC(CO)C)C)CC(OC)C
InChI:   InChI=1/C10H22O4/c1-8(5-11)13-7-10(3)14-6-9(2)12-4/h8-11H,5-7H2,1-4H3/t8-,9+,10-/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)=58.4584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.282 g/mol  logS: -0.79755  SlogP: 0.8238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139439  Sterimol/B1: 3.51891  Sterimol/B2: 4.07906  Sterimol/B3: 4.11228
  Sterimol/B4: 4.54898  Sterimol/L: 13.4057 
 
 Surface and Volume Properties
  Accessible surface: 474.448  Positive charged surface: 393.245  Negative charged surface: 81.203  Volume: 222.75
  Hydrophobic surface: 360.037  Hydrophilic surface: 114.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.