LigandBoxID:D00578

NAME:Voriconazole;Vfend
SMILES: Fc2ccc(C(C(c3ncncc3F)C)(CN1CNCN1)O)c(c2)F

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00578

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H14N5OF3 349.316 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 2 -0.6344 -9.9114
LOGS LOGP    
-3.6191 4.0609    

Links to the same SMILES compounds

LIGANDBOX C07622 PDB_VOR


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