LigandBoxID:D07641

NAME:Cefmenoxime;CMX
SMILES: CON=C(c1csc(n1)N)C(NC3C(n4c(c(csc43)CSc2nnnn2C)C(=O)O)=O)=O

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07641

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H16N9O5S3 510.557 -1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 2 0.9530 -5.5110
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
0.237969995E+00 0.885729736E-03 + 7.1774

Links to the same SMILES compounds

LIGANDBOX D01739
CHEMBL CHEMBL1201086 CHEMBL1201224 CHEMBL1876548 CHEMBL84618
PUBCHEM 11954009 12763167 22027015 23260046 23676080
2624 34173992 40467089 40467090 40467968 42066880
42066881 45266506 47521 50986970 51371341 53395223
5353493 5361486 53880406 53880407 57332595 636361
6917862 9570757 9577230 9577231 9690105 9809554
9828449 9938462 9959175 9959176

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