LigandBoxID:PDB_0VP

NAME:0VP;3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
SMILES: CCCc3cc(C(CC)(CC)O)ccc3c2cc(ccc2CC)OCc1ccc(c(c1)CO)CO

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
0VP(PDBeCHEM) 0VP(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C31H40O4 476.657 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 0.2290 -9.0308
LOGS LOGP    
-9.0337 5.8828    

Links to the same SMILES compounds

PUBCHEM 10174128


[Back to top page]