LigandBoxID:D07659

NAME:Ceftriaxone;CTRX;Ceftriaxone
SMILES: CON=C(c1csc(n1)N)C(NC3C(N4C(=C(CSC43)CSc2nc(c(nn2C)=O)=O)C(=O)O)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07659

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H17N8O7S3 553.578 -1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 2 1.0800 -5.1192
LOGS LOGP    
-4.8892 0.2611    

Links to the same SMILES compounds

LIGANDBOX C06683 D00924 HTS1610-00353021 HTS1610-00353022 HTS1610-01524049
HTS1610-01524050 HTS1610-07158957 HTS1610-07158958 HTS1610-07158959 HTS1610-07158960 KSH2016-01629726
KSH2016-03410379


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