LigandBoxID:D00322

NAME:Fluconazole;Diflucan
SMILES: Fc3ccc(C(CN1NCNC1)(CN2NCNC2)O)c(c3)F

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00322

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H12N6OF2 306.276 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.4997 -10.3856
LOGS LOGP    
-2.4763 4.0699    

Links to the same SMILES compounds

LIGANDBOX PDB_TPF


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