LigandBoxID:HTS1610-04983591-01

SMILES: Fc2cccc4sc(C(N3CCCC3Cc1ccccc1)=O)cc42

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-017364529-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H18NOFS 339.433 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -0.9323 -8.3495
LOGS LOGP    
-5.7450 5.2181    

Links to the same SMILES compounds

LIGANDBOX HTS1610-04983590
ZINC ZINC25518749 ZINC25518753
PUBCHEM 32825441 32825444 43057269

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03448126

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