Drug-likeness: Lipinski, Veber, QED
Molecular weight, LogP, hydrogen bond donors and acceptors, TPSA, plus Lipinski, Veber, Ghose, QED and synthetic accessibility.
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The rules are heuristics from oral drug development, not exclusion criteria. The calculator also returns the raw values, so you can see which one a rule fails on.
Keep going on the whole molecule
This calculator shows one slice. With a free account you compute spectra, stability, toxicology and synthesis routes on the same molecule, in the browser or in Claude and ChatGPT.