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


PUBCHEM-ZINC02170459

 MMsINC code: MMs02879848
Type: Neutral
Formula: C24H28O5
SMILES:   O1c2c(C(=O)C=C1c1ccc(OC(C)C)cc1)c(OC(C)C)cc(OC(C)C)c2
InChI:   InChI=1/C24H28O5/c1-14(2)26-18-9-7-17(8-10-18)21-13-20(25)24-22(28-16(5)6)11-19(27-15(3)4)12-23(24)29-21/h7-16H,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)=127.629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.483 g/mol  logS: -6.66289  SlogP: 5.6644  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0309845  Sterimol/B1: 2.15437  Sterimol/B2: 4.69056  Sterimol/B3: 6.32778
  Sterimol/B4: 6.57861  Sterimol/L: 19.2089 
 
 Surface and Volume Properties
  Accessible surface: 721.516  Positive charged surface: 471.035  Negative charged surface: 250.481  Volume: 396.125
  Hydrophobic surface: 546.239  Hydrophilic surface: 175.277
 
 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.