LigandBoxID:D00909

SMILES: O=COC(c1ccccc1)C(NC3C(n4c(c(csc43)CSC2NNNN2C)C(=O)O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00909

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H17N6O6S2 489.511 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
9 3 1.7190 -5.2918
LOGS LOGP    
-1.3947 2.9657    

Links to the same SMILES compounds

LIGANDBOX C08102 HTS1306-01575699


[Back to top page]