LigandBoxID:HTS2204-06365883-01

SMILES: CCc2nc3sc(nn3c2S(Nc1ccc(c(c1)C)C)(=O)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-024150465-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H18N4O2S2 350.465 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.3916 -8.7523
mLOGS mLOGD mLOGPA  
-2.328 1.671 -5.228  

Links to the same SMILES compounds

LIGANDBOX KSH2210-02283743
PUBCHEM 53152073

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