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


PUBCHEM-ZINC05379807

 MMsINC code: MMs03252230
Type: Neutral
Formula: C22H36O5
SMILES:   O1c2c(OCCOCCOCCOCC1)cc(cc2C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C22H36O5/c1-21(2,3)17-15-18(22(4,5)6)20-19(16-17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h15-16H,7-14H2,1-6H3

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)=200.4 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.525 g/mol  logS: -5.78811  SlogP: 4.1026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938629  Sterimol/B1: 2.79269  Sterimol/B2: 4.21669  Sterimol/B3: 4.79059
  Sterimol/B4: 7.38842  Sterimol/L: 15.4049 
 
 Surface and Volume Properties
  Accessible surface: 638.186  Positive charged surface: 515.273  Negative charged surface: 122.912  Volume: 397
  Hydrophobic surface: 524.825  Hydrophilic surface: 113.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.