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


NCID-ZINC05882331

 MMsINC code: MMs02508898
Type: Neutral
Formula: C26H26O4
SMILES:   O1C2C(OCc3c2cccc3)C(OCc2ccccc2)C1COCc1ccccc1
InChI:   InChI=1/C26H26O4/c1-3-9-19(10-4-1)15-27-18-23-25(28-16-20-11-5-2-6-12-20)26-24(30-23)22-14-8-7-13-21(22)17-29-26/h1-14,23-26H,15-18H2/t23-,24+,25+,26+/m1/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)=137.407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.49 g/mol  logS: -5.73604  SlogP: 5.7222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985905  Sterimol/B1: 3.27814  Sterimol/B2: 3.63964  Sterimol/B3: 3.68154
  Sterimol/B4: 11.961  Sterimol/L: 16.1574 
 
 Surface and Volume Properties
  Accessible surface: 726.264  Positive charged surface: 440.273  Negative charged surface: 285.991  Volume: 402.375
  Hydrophobic surface: 676.544  Hydrophilic surface: 49.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.