LigandBoxID:D02582

NAME:Fenticonazole
SMILES: c1ccc(Sc3ccc(cc3)COC(c4ccc(cc4[Cl])[Cl])Cn2cncc2)cc1

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02582

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H20N2OSCl2 455.408 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -0.4530 -8.4630
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.815252018E+01 0.993219972E+00 + 1.1489

Links to the same SMILES compounds

LIGANDBOX D02583
CHEMBL CHEMBL1651990
ZINC ZINC01542894 ZINC11525628 ZINC11525628
PUBCHEM 23622622 36688220 42013940 51754 51755

[Back to top page]