LigandBoxID:D02714

NAME:Everolimus;Afinitor;Votubia;Zortress
SMILES: OCCOC3CCC(CC3OC)CC(C1CC(C(C=C(C(C(C(C(CC(C=CC=CC=C(C(CC2CCC(C(C(C(N4CCCCC4C(O1)=O)=O)=O)(O2)O)C)OC)C)C)C)=O)OC)O)C)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02714

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C53H83NO14 958.240 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
14 15 -0.5015 -8.5145
LOGS LOGP    
-9.7472 2.5929    

Links to the same SMILES compounds

LIGANDBOX HTS1610-02490704 HTS1610-02490705
CHEMBL CHEMBL1908360
PUBCHEM 10510143 10510144 10724603 11182228 11332366
11549971 11962119 16043200 16211121 16656791 16730058
17747034 17757339 18477727 18477728 21549996 22836307
23181307 23181308 23228349 23228350 23230836 23267602
23305274 23328362 23377022 23412516 23654184 23724849
25200222 25200279 25200325 42619419 42624243 44546497
44546586 45375851 46189865 46199206 46930999 49849718
49849719 49850237 53316141 53398658 53486406 54608520
56947312 56968077 57369482 57458878 57579210 57737799
57896529 58225498 58428256 58682958 58841138 59762852
59836925 59911867 59977111 60003177 60150250 6442177
9964029


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