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


NCID-ZINC05369257

 MMsINC code: MMs02455379
Type: Neutral
Formula: C30H32O6
SMILES:   O1CCOCCOCCOc2cc(-c3c4c(ccc3OCCOCC1)cccc4)c1c(c2)cccc1
InChI:   InChI=1/C30H32O6/c1-4-8-27-23(5-1)9-10-29-30(27)28-22-25(21-24-6-2-3-7-26(24)28)35-19-17-33-15-13-31-11-12-32-14-16-34-18-20-36-29/h1-10,21-22H,11-20H2

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)=223.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.58 g/mol  logS: -8.38718  SlogP: 5.4976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586176  Sterimol/B1: 2.097  Sterimol/B2: 3.78064  Sterimol/B3: 5.37771
  Sterimol/B4: 8.59151  Sterimol/L: 17.5195 
 
 Surface and Volume Properties
  Accessible surface: 755.329  Positive charged surface: 540.407  Negative charged surface: 195.582  Volume: 473.75
  Hydrophobic surface: 724.881  Hydrophilic surface: 30.448
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.