LigandBoxID:HTS2204-04822029-01

SMILES: Fc2ccccc2c3nnc(C(Sc4nnc(n4N)C1CCOCC1)C)s3

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-020189360-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N6OFS2 406.508 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 1 -1.3024 -9.3631
mLOGS mLOGD mLOGPA  
-3.570 1.798 -5.643  

Links to the same SMILES compounds

PUBCHEM 86816922 99787282 99787283

[Back to top page]