LigandBoxID:D03669

NAME:Deferasirox;Exjade
SMILES: OC(c1ccc(N4NC(c2ccccc2O)NC4c3ccccc3O)cc1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03669

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H14N3O4 372.360 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 1.7479 -4.9849
LOGS LOGP    
-5.9284 3.9107    

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