LigandBoxID:D01954

SMILES: Nc2ccc(S(NC3CCNN3c1ccccc1)(=O)=O)cc2

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01954

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H14N4O2S 314.368 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.4451 -8.7901
LOGS LOGP    
-3.8669 2.4303    

Links to the same SMILES compounds

LIGANDBOX HTS1306-00105538


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