LigandBoxID:D00455

SMILES: COc1ccc3NC(S(Cc2ncc(c(c2C)OC)C)=O)Nc3c1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00455

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N3O3S 345.422 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.4279 -8.9402
LOGS LOGP    
-3.5391 1.4220    

Links to the same SMILES compounds

LIGANDBOX C07324 D01207 D01984 D04056 D05259
D05261 D07917 D09339 D10120 HTS1306-00119368 HTS1306-01514719


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