LigandBoxID:KSH2016-01258561-01

SMILES: Cc2ccc(n3ccn4C(=NN=c4c3=O)SCC(c1ccccc1)=O)cc2C

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS122-1383177

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H18N4O2S 390.466 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.6962 -8.6606
LOGS LOGP    
-6.6659 4.3403    

Links to the same SMILES compounds

ZINC ZINC64593509

[Back to top page]