LigandBoxID:D00886

NAME:Sulconazole nitrate;Exelderm
SMILES: [Cl]c1ccc(CSC(c3ccc(cc3[Cl])[Cl])CN2CCNC2)cc1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00886

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H15N2SCl3 397.756 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -0.5904 -9.0202
LOGS LOGP    
$$$$ -1.8278    

Links to the same SMILES compounds

LIGANDBOX C08076 D08535


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