LigandBoxID:PDB_H4C

SMILES: CCc2cc4C(c1ccccc1[Cl])=NCC3=NNC(=N3c4s2)C

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
H4C(PDBeCHEM) H4C(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H16N4SCl 343.861 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -5.4132 -12.5242
LOGS LOGP    
$$$$ 0.4424    

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