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


PUBCHEM-ZINC05645378

 MMsINC code: MMs03333634
Type: Neutral
Formula: C25H34O6
SMILES:   O1CCOc2cc(ccc2OCCOCCOc2c(OCC1)cccc2)C(CC)(C)C
InChI:   InChI=1/C25H34O6/c1-4-25(2,3)20-9-10-23-24(19-20)31-18-14-27-12-16-29-22-8-6-5-7-21(22)28-15-11-26-13-17-30-23/h5-10,19H,4,11-18H2,1-3H3

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)=169.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.541 g/mol  logS: -6.34966  SlogP: 4.6364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315569  Sterimol/B1: 2.94913  Sterimol/B2: 4.17026  Sterimol/B3: 5.85015
  Sterimol/B4: 5.92987  Sterimol/L: 20.7275 
 
 Surface and Volume Properties
  Accessible surface: 730.637  Positive charged surface: 551.083  Negative charged surface: 179.554  Volume: 433.75
  Hydrophobic surface: 652.018  Hydrophilic surface: 78.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.