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


PUBCHEM-ZINC06020858

 MMsINC code: MMs03496041
Type: Neutral
Formula: C10H18O8
SMILES:   O1C(C(O)=O)C(O)C(O)C(O)C1OC(COC)C
InChI:   InChI=1/C10H18O8/c1-4(3-16-2)17-10-7(13)5(11)6(12)8(18-10)9(14)15/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6-,7+,8-,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)=79.6993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.246 g/mol  logS: 0.23654  SlogP: -2.0699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625764  Sterimol/B1: 2.6985  Sterimol/B2: 2.83545  Sterimol/B3: 3.32831
  Sterimol/B4: 6.54694  Sterimol/L: 13.5522 
 
 Surface and Volume Properties
  Accessible surface: 473.772  Positive charged surface: 357.901  Negative charged surface: 115.871  Volume: 229.375
  Hydrophobic surface: 242.738  Hydrophilic surface: 231.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03496042
PUBCHEM-ZINC06020858