LigandBoxID:D08307

NAME:Oxacillin;Oxacilina
SMILES: OC(C3C(SC4C(C(N43)=O)NC(c2c(onc2c1ccccc1)C)=O)(C)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08307

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H18N3O5S 400.434 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 3 1.3832 -4.7181
LOGS LOGP    
-4.3185 3.6019    

Links to the same SMILES compounds

LIGANDBOX C07334 D00929 HTS1610-00138367 HTS1610-00138368 HTS1610-00666262
HTS1610-00666263 HTS1610-00873533 HTS1610-00873534 HTS1610-00873535 HTS1610-00873536 HTS1610-02900221
HTS1610-02900222 HTS1610-03565983 HTS1610-03565984 KSH2016-01076764 KSH2016-01628940
CHEMBL CHEMBL1206718 CHEMBL299583 CHEMBL693 CHEMBL819
ZINC ZINC01530747 ZINC02094988 ZINC03831241 ZINC03831242 ZINC03831243
ZINC03875439 ZINC09212279
PUBCHEM 121987 12942042 1548982 1548983 1549974
1549975 16051952 16211820 16757716 1751513 1751514
18531013 21872746 23618708 23667631 23681133 23682216
23694213 23697820 23701534 23713221 24201827 24207524
24870849 3664549 40969557 44398513 44511313 4607
4608 487525 53315121 53339040 60148396 6093405
6196 6426740 6560179 6560180 6602444 7048730
7048731 7048732 9831029 9897482 9932126


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