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


PUBCHEM-ZINC04534312

 MMsINC code: MMs03130983
Type: Neutral
Formula: C19H28O11
SMILES:   O1C(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OCc1ccccc1
InChI:   InChI=1/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16+,17-,18+,19-/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)=150.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.422 g/mol  logS: -0.57036  SlogP: -2.9063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149161  Sterimol/B1: 2.28028  Sterimol/B2: 3.24751  Sterimol/B3: 5.99859
  Sterimol/B4: 10.3681  Sterimol/L: 15.1439 
 
 Surface and Volume Properties
  Accessible surface: 685.242  Positive charged surface: 494.925  Negative charged surface: 190.317  Volume: 379.125
  Hydrophobic surface: 394.763  Hydrophilic surface: 290.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.