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


PUBCHEM-ZINC01464245

 MMsINC code: MMs02809574
Type: Neutral
Formula: C26H28O5
SMILES:   O1c2c(cc(CC)c(OCC=C(C)C)c2)C(=O)C(c2cc3OCCCOc3cc2)=C1C
InChI:   InChI=1/C26H28O5/c1-5-18-13-20-23(15-22(18)30-12-9-16(2)3)31-17(4)25(26(20)27)19-7-8-21-24(14-19)29-11-6-10-28-21/h7-9,13-15H,5-6,10-12H2,1-4H3

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)=125.827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.505 g/mol  logS: -6.89991  SlogP: 5.76157  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0406762  Sterimol/B1: 2.41965  Sterimol/B2: 2.76748  Sterimol/B3: 5.41614
  Sterimol/B4: 9.08941  Sterimol/L: 21.4243 
 
 Surface and Volume Properties
  Accessible surface: 736.787  Positive charged surface: 501.728  Negative charged surface: 235.059  Volume: 416.625
  Hydrophobic surface: 641.216  Hydrophilic surface: 95.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.