LigandBoxID:D02525

NAME:Erythromycin propionate
SMILES: CCC2OC(C(C(C(C(C(CC(C(C(C(C2(O)C)O)C)=O)C)(O)C)OC3OC(CC(C3OC(CC)=O)N(C)C)C)C)OC1OC(C(C(C1)(OC)C)O)C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02525

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C40H72NO14 791.009 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
14 18 -4.1481 -11.7656
LOGS LOGP    
-5.2925 1.7361    

Links to the same SMILES compounds

LIGANDBOX C08031 D00851 HTS1610-03157463 HTS1610-03157464 KSH2016-01617727
KSH2016-01634028 KSH2016-02174581
CHEMBL CHEMBL1323619
PUBCHEM 10350906 10440297 11766604 16395817 16395818
16401719 16757779 16757780 18397744 18397745 19037
19038 23424088 23424089 23618033 24848053 3258
429694 441371 44655455 53384937 53384938 54695529
59882855 6602290 71276 71277


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