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


PUBCHEM-ZINC04831485

 MMsINC code: MMs03177213
Type: Neutral
Formula: C14H22O8
SMILES:   O(C(C(OC(=O)C)C(OC(=O)C)C)C(OC(=O)C)C)C(=O)C
InChI:   InChI=1/C14H22O8/c1-7(19-9(3)15)13(21-11(5)17)14(22-12(6)18)8(2)20-10(4)16/h7-8,13-14H,1-6H3/t7-,8-,13-,14+/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)=50.8475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.322 g/mol  logS: -1.90708  SlogP: 0.753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.607261  Sterimol/B1: 2.44192  Sterimol/B2: 5.25521  Sterimol/B3: 5.72261
  Sterimol/B4: 7.43781  Sterimol/L: 12.3047 
 
 Surface and Volume Properties
  Accessible surface: 551.342  Positive charged surface: 327.284  Negative charged surface: 224.058  Volume: 295.75
  Hydrophobic surface: 400.673  Hydrophilic surface: 150.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.