LigandBoxID:D07637

SMILES: CC(OCC=2CSC3C(C(N3C=2C(=O)O)=O)NC(CSc1ccncc1)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07637

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H16N3O6S2 422.460 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 2 1.4654 -5.1872
LOGS LOGP    
-8.2331 2.3713    

Links to the same SMILES compounds

LIGANDBOX C06896 C08101 D00908 D07636 HTS1410-03164147
ZINC ZINC03830511 ZINC03830512 ZINC03830513 ZINC03830514


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