LigandBoxID:D01696

SMILES: O=C2OC(=C(O2)COC(C4N3C(C(C3SC4(C)C)NC(C(c1ccccc1)N)=O)=O)=O)C

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01696

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H24N3O7S 462.502 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 4 -4.4898 -11.4493
LOGS LOGP    
-4.8465 2.4067    

Links to the same SMILES compounds

LIGANDBOX D08110
PUBCHEM 3900 444026 444027 65646 6917773
9956859 9959013 9960131


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