LigandBoxID:D00447

SMILES: Nc1ccc(S(Nc2noc(c2)C)(=O)=O)cc1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00447

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H11N3O3S 253.281 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.3100 -9.4581
LOGS LOGP    
-2.7175 1.1787    

Links to the same SMILES compounds

LIGANDBOX C07315 HTS1306-00063458 PDB_08D
CHEMBL CHEMBL443
ZINC ZINC00089763
PUBCHEM 15899900 165247 169914 17920458 21119281
22667713 23686480 24847784 4164477 432992 44389060
45040440 50919704 51372071 5148655 5329 57350054
6093739 6102242


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