D00912

LigandBoxID:D00912

NAME:Cefonicid sodium;Monocid
SMILES: OC(c3c(csc4C(C(n43)=O)NC(C(c1ccccc1)O)=O)CSc2nnnn2CS(=O)(=O)O)=O

2D	3D
	select 3D conformers:
SDF file D00912 [show] [download] [KEGG DRUG]	MOL2 file D00912-01 : [show] [download] D00912-02 : [show] [download] D00912-03 : [show] [download] D00912-04 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H16N6O8S3	540.555	-2	2
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
11	3	2.9230	-3.5410
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.881900024E+01	0.408375911E-08	+	4.8000

Links to the same SMILES compounds

LIGANDBOX	C06882	C08105	D03426	D07644
CHEMBL	CHEMBL1201005	CHEMBL1601
PUBCHEM	11006063	11307797	11307798	11563899	11563950
11564006	11600273	11693522	13591280	16052033	23664040
24868268	43592	43593	43594	441391	45006143
45006144	45357537	45357538	4630261	4636597	51397057
51397058	56655979	56655980	56655981	56840883	57050298
60148425	6336979	9916466

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