LigandBoxID:D04281

NAME:Fusidic acid;FA
SMILES: CC(=CCCC(=C2C(CC4(C2CC(C3C1(CCC(C(C1CCC43C)C)O)C)O)C)OC(=O)C)C(=O)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04281

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C31H47O6 515.711 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 10 3.6613 -4.8372
LOGS LOGP    
-6.6452 4.8597    

Links to the same SMILES compounds

LIGANDBOX C06694 D00213 D08000 D08003 HTS1610-02881509
HTS1610-02881510 HTS1610-03160631 HTS1610-03160632 HTS1610-03575497 HTS1610-03575498 KSH2016-01615698
KSH2016-02174622 KSH2016-02174623 PDB_FUA
CHEMBL CHEMBL107223 CHEMBL117110 CHEMBL1256987 CHEMBL1334456 CHEMBL1394727
CHEMBL1434595 CHEMBL1477084 CHEMBL1487376 CHEMBL1552107 CHEMBL1575256 CHEMBL1605916
CHEMBL1619349 CHEMBL1620692 CHEMBL1625992 CHEMBL374975
ZINC ZINC08143796 ZINC08214769 ZINC08674157 ZINC08674157 ZINC14243816
PUBCHEM 11205407 11239991 11320596 11366649 11434551
11466473 11480086 11491519 11815533 11957550 11973017
16061415 16061447 16757684 18530307 21148423 23423
23636770 23639198 23672955 23680398 23684979 23684991
23690471 23695850 23696626 23702385 23706209 23706592
244879 24776142 24867848 24867849 24871019 24871020
3000226 3000246 3001076 3001077 3032280 3032525
3033936 3419434 3443 42596964 42615586 42615991
42616300 42620489 42621809 42621888 42622488 42622622
42622841 44123551 44134727 44336340 44345525 44655891
44655892 44828489 46174083 46174085 46898120 46898121
46898122 46898123 46898124 46898125 46909591 46931479
46931812 49806067 49868174 51000505 51432365 51432366
51531969 5280986 5288270 53354742 53354772 53354773
53354774 53354775 53354776 53354777 53354778 53354779
53474796 5353638 53911549 53911550 54691356 54708848
54761768 56649680 56649683 56834962 56834963 56834978
56834979 56837174 56837180 56837182 56839729 56839950
56847706 56931137 57312976 57369498 57369867 57373456
57472981 5820787 5820788 58872606 60138401 60138404
6369692 65250 6604105 6914278 9962958


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