LigandBoxID:D00978

NAME:Hydrocortisone sodium succinate;A-hydrocort;Solu-cortef
SMILES: OC(CCC(OCC(C4(CCC3C2CCC1=CC(CCC1(C2C(CC43C)O)C)=O)O)=O)=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00978

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H33O8 461.531 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 7 0.8156 -4.5626
LOGS LOGP    
-0.7159 1.8643    

Links to the same SMILES compounds

LIGANDBOX C08178 C12888 D01442 D04467 HTS1610-00162137
HTS1610-00162138 HTS1610-00162139 HTS1610-00162140 HTS1610-00337552 HTS1610-00337553 HTS1610-00584912
HTS1610-00584913 KSH2016-00018413 KSH2016-01633356 KSH2016-03416971
CHEMBL CHEMBL1200495 CHEMBL1512111 CHEMBL1623839 CHEMBL1873165 CHEMBL343545
CHEMBL977
ZINC ZINC03872844 ZINC03872845 ZINC03872846 ZINC03872847 ZINC03881462
ZINC03881463 ZINC03881464 ZINC03881465 ZINC03977961 ZINC03977962 ZINC03977963
ZINC03977964 ZINC04097472 ZINC12402842 ZINC13718815 ZINC16890011
PUBCHEM 11869542 11869543 11869544 11869545 11869546
11869547 11869548 11869549 11969459 16219411 16394491
16623 16757690 1778041 1778042 219121 22524552
23662377 23684981 23694214 24181458 24867452 24867453
24867504 24867505 3643 40469500 40469501 40469502
40469503 40473194 42579253 42579254 42619769 4636604
46783757 51398088 51398089 51398090 51398091 5327430
56625733 5702069 57536783 58291601 6400914 6426639
6604112 7060957 7060958 7060959 7060960


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