LigandBoxID:KSH2017-04199700-01

SMILES: O1CCC(C(Nc5ccnn5c3cccc(c4sccc4C)c3)=O)(Cc2ccccn2)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2017
KL-010-1020-337

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H26N4O2S 458.585 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.5842 -8.8406
LOGS LOGP    
-7.661 5.491    
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