LigandBoxID:HTS1610-02641998-01

SMILES: Cc1scc(C(Nc2ccc(S(N4CCc3ccccc43)(=O)=O)cc2)=O)c1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-012967045-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H18N2O3S2 398.505 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.1645 -8.6141
LOGS LOGP    
-6.0004 3.2197    

Links to the same SMILES compounds

LIGANDBOX KSH2016-00206623
ZINC ZINC02872636
PUBCHEM 2225267

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-01786966

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