LigandBoxID:HTS1610-02962504-01

SMILES: COc3ccc4C=C(C(Nc4c3)=O)CN(C1CCCCC1)C(NCc2occc2)=S

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-013332113-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H27N3O3S 425.552 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.8456 -8.0839
LOGS LOGP    
-8.3433 3.3451    

Links to the same SMILES compounds

ZINC ZINC00883156

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