LigandBoxID:HTS2204-03747961-01

SMILES: CCc1ccc(c3csc(C(=Cc2ccc(C(OC)=O)cc2)C#N)n3)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-017839598-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H18N2O2S 374.463 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.5635 -8.8539
mLOGS mLOGD mLOGPA  
-3.991 3.136 -4.768  

Links to the same SMILES compounds

PUBCHEM 44614796 72165868

[Back to top page]