LigandBoxID:HTS2204-04443661-01

SMILES: CSc2nnc(s2)COc3nnc(c1ccccc1)o3

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-019665502-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H10N4O2S2 306.368 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -0.8565 -9.0164
mLOGS mLOGD mLOGPA  
-2.818 2.014 -5.507  

Links to the same SMILES compounds

PUBCHEM 71936408

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