LigandBoxID:D03706

SMILES: O=C(C(C)(C)C)OCOC(C2N1C(CC1S(C2(C)C)(=O)=O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03706

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H21NO7S 347.387 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 2 -1.8385 -10.7456
LOGS LOGP    
-2.4564 1.8802    

Links to the same SMILES compounds

CHEMBL CHEMBL423875
ZINC ZINC04217478 ZINC05455247 ZINC05455944 ZINC05455977
PUBCHEM 40537203 40537216 40537219 45358083 50491
9997821


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