LigandBoxID:D00912

SMILES: OS(CN2NNNC2SCC=3CSC4C(C(N4C=3C(=O)O)=O)NC(C(c1ccccc1)O)=O)(=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00912

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H16N6O8S3 540.555 -2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
11 3 2.7272 -3.6744
LOGS LOGP    
$$$$ 1.5972    

Links to the same SMILES compounds

LIGANDBOX C06882 C08105 D03426 D07644


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