LigandBoxID:D00440

SMILES: CN(Cc1scc(n1)CSCCNC(=CN(=O)O)NC)C

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00440

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H22N5O2S2 332.471 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.6344 -10.4968
LOGS LOGP    
-1.8469 1.0242    

Links to the same SMILES compounds

LIGANDBOX C07270 HTS1306-03403279
CHEMBL CHEMBL653
ZINC ZINC01530736 ZINC01530736
PUBCHEM 3033637 36688127 44123687 4513 5353831


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