LigandBoxID:HTS1610-04372624-01

SMILES: O=C(CSc4nnc(n4CC1CCCO1)c2cccs2)NCCc5cnc3ccccc53

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-016041635-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H25N5O2S2 467.616 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.6394 -8.5920
LOGS LOGP    
-6.5745 4.1657    

Links to the same SMILES compounds

LIGANDBOX HTS1610-04372623 KSH2016-02590980
ZINC ZINC10572577 ZINC10572580 ZINC38791136 ZINC38791137 ZINC38791138
ZINC38791139
PUBCHEM 24237441 41557606 41557607

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-03011358

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