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


PUBCHEM-ZINC05854389

 MMsINC code: MMs03418769
Type: Neutral
Formula: C25H26O5
SMILES:   O1C=C(C(=O)c2c1c(CC=C(C)C)c(O)c(CC=C(C)C)c2O)c1ccc(O)cc1
InChI:   InChI=1/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3

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)=130.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.478 g/mol  logS: -6.81135  SlogP: 5.43694  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0950274  Sterimol/B1: 2.67327  Sterimol/B2: 3.29449  Sterimol/B3: 4.59342
  Sterimol/B4: 10.8339  Sterimol/L: 17.0478 
 
 Surface and Volume Properties
  Accessible surface: 688.156  Positive charged surface: 443.626  Negative charged surface: 244.53  Volume: 398
  Hydrophobic surface: 540.542  Hydrophilic surface: 147.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.