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


PUBCHEM-ZINC05950618

 MMsINC code: MMs03457234
Type: Neutral
Formula: C23H26O3
SMILES:   O1C2=CC(=O)C=CC2=CC=C1c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C
InChI:   InChI=1/C23H26O3/c1-22(2,3)17-11-15(12-18(21(17)25)23(4,5)6)19-10-8-14-7-9-16(24)13-20(14)26-19/h7-13,25H,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)=145.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.458 g/mol  logS: -7.54282  SlogP: 5.3075  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0612773  Sterimol/B1: 2.50907  Sterimol/B2: 3.62328  Sterimol/B3: 3.6304
  Sterimol/B4: 9.54892  Sterimol/L: 15.2567 
 
 Surface and Volume Properties
  Accessible surface: 615.514  Positive charged surface: 360.958  Negative charged surface: 248.86  Volume: 360.375
  Hydrophobic surface: 452.667  Hydrophilic surface: 162.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.