LigandBoxID:KSH2210-02283743-01

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

Kishida2210
KS151-4642658

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 -1.3568 -8.6693
mLOGS mLOGD mLOGPA  
-2.755 1.369 -5.224  

Links to the same SMILES compounds

LIGANDBOX HTS2204-06365883
PUBCHEM 53152073

[Back to top page]