LigandBoxID:D01078

NAME:Telithromycin;TEL;Ketek
SMILES: CCC3OC(C(C(C(C(C(CC(C(C(C5N(C(OC53C)=O)CCCCN2CNC(c1cccnc1)C2)C)=O)C)(OC)C)OC4OC(CC(C4O)N(C)C)C)C)=O)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01078

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C43H66N5O10 813.026 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
12 13 -4.3237 -9.4487
LOGS LOGP    
-6.1185 2.9353    

Links to the same SMILES compounds

LIGANDBOX C12009 PDB_TEL


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