LigandBoxID:D02754

NAME:Acitretin;Soriatane
SMILES: COc1cc(c(c(c1C)C)C=CC(=CC=CC(=CC(=O)O)C)C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02754

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H25O3 325.428 -1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 1.5248 -4.9056
LOGS LOGP    
-5.1350 4.7918    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00556567 KSH2016-01632844
CHEMBL CHEMBL1131
ZINC ZINC03798734 ZINC12496045 ZINC22047718
PUBCHEM 19866332 21217830 23701574 24820760 25320664
29971117 29971118 41317 46780078 46780079 5284513
57369223 6437841


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