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


PUBCHEM-ZINC04530705

 MMsINC code: MMs03129569
Type: Neutral
Formula: C14H20O10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1O
InChI:   InChI=1/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m0/s1

Download   format file 
Drug Similarity  |  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)=58.7379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.304 g/mol  logS: -1.22233  SlogP: -0.9382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178134  Sterimol/B1: 2.47976  Sterimol/B2: 3.71548  Sterimol/B3: 4.90212
  Sterimol/B4: 8.4663  Sterimol/L: 15.2768 
 
 Surface and Volume Properties
  Accessible surface: 595.29  Positive charged surface: 377.811  Negative charged surface: 217.478  Volume: 300.375
  Hydrophobic surface: 416.019  Hydrophilic surface: 179.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.