LigandBoxID:D00751

NAME:Methylprednisolone sodium succinate;A-methapred;Solu-medrol
SMILES: OC(CCC(OCC(C4(CCC1C2CC(C3=CC(C=CC3(C2C(CC41C)O)C)=O)C)O)=O)=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00751

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H33O8 473.542 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 8 0.7308 -4.7544
LOGS LOGP    
-2.3355 2.0266    

Links to the same SMILES compounds

LIGANDBOX D05000
CHEMBL CHEMBL1201081 CHEMBL1201265 CHEMBL1206473 CHEMBL1207082 CHEMBL278063
CHEMBL346476
ZINC ZINC03831099 ZINC03831101 ZINC03977780 ZINC03977781 ZINC03977782
ZINC03977783 ZINC03983976 ZINC03983977 ZINC16990561 ZINC33715602 ZINC33715603
PUBCHEM 16923 1875 22818605 22819137 23680529
23680530 24069687 25028099 40469421 44252611 44270140
44369108 44369109 5108833 51398051 51398052 51398053
51398054 51398055 51398056 54605501 57367995 60148413
6708814 9891055 9913795


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