LigandBoxID:D09017

NAME:Ticagrelor;Brilinta
SMILES: CCCSc2nc(c5NNN(c5n2)C3CC(C(C3O)O)OCCO)NC4CC4c1ccc(c(c1)F)F

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09017

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H28N6O4F2S 522.576 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 6 -0.6835 -8.8430
LOGS LOGP    
-5.8615 3.4905    

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