LigandBoxID:D10099

SMILES: CN(CCCOc1ccc4NNC(c4c1)S(c3cccc2ccccc32)(=O)=O)C

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D10099

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H24N3O3S 410.517 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -4.2604 -10.4473
LOGS LOGP    
-5.0103 3.7374    

Links to the same SMILES compounds

LIGANDBOX D10100


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