LigandBoxID:HTS2204-00598673-01

SMILES: [Cl]c3ccc(C(Nc4nc(c(c2ccccc2)s4)c1ccccc1)=O)s3

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-005951121-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H13N2OS2Cl 396.920 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -1.2022 -8.3834
mLOGS mLOGD mLOGPA  
-5.111 3.494 -5.557  

Links to the same SMILES compounds

PUBCHEM 2329872

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