LigandBoxID:D07641

SMILES: CON=C(c2csc(n2)N)C(NC3C(n4c(c(csc43)CSC1NNNN1C)C(=O)O)=O)=O

2D 3D

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 1.2186 -5.2283
LOGS LOGP    
-4.1148 1.6143    

Links to the same SMILES compounds

LIGANDBOX D01739 HTS1306-04519660


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