Which of the following rule's from Lipinski's Rule of Five is incorrect?

Question

BlackTom AI · Accepted Answer

Lipinski's Rule of Five states the typical oral drug-like boundaries: molecular weight ≤ 500 Da, calculated lipophilicity (ClogP) ≤ 5, hydrogen bond donors (OH and NH) ≤ 5, and hydrogen bond acceptors (typically O and N) ≤ 10. These are heuristics predicting good oral bioavailability.

1) Relevant knowledge points and concepts
- Lipinski’s original four criteria: MW ≤ 500 Da; ClogP ≤ 5; H-bond donors ≤ 5; H-bond acceptors ≤ 10.  
- Variants sometimes substitute or compare different logP calculators (e.g., Moriguchi MLogP has a comparable cutoff around 4.15), but the intent is a logP/lipophilicity limit consistent with ≤ ~5.

2) Step-by-step reasoning
- Compare each option to the canonical rules:
  a. “Number of hydrogen bond acceptors less than 10” — matches the rule (≤ 10).  
  b. “Number of hydrogen bond donors (OH or NH groups) equal or less than 5” — matches the rule (≤ 5).  
  c. “Calculated Log P less than 5.0 (by C log P) or 4.15 (by M log P)” — consistent with the lipophilicity cutoff (ClogP ≤ 5; MLogP ≈ 4.15 is a known comparable metric).  
  d. “Molecular weight less than 500 Da” — matches MW ≤ 500 Da.  
  e. “Molecular weight more than 500 Da” — this directly contradicts the MW ≤ 500 Da rule.

3) Intermediate steps / checks
- For each candidate statement, ask: does it restate a Lipinski criterion or contradict it? Options a–d restate accepted thresholds; only e contradicts.

4) Why the correct answer is correct
- Option e is incorrect because Lipinski’s rule requires molecular weight to be at or below 500 Da for favorable oral bioavailability. Saying “molecular weight more than 500 Da” is the opposite of that rule and therefore false.

5) Why the other options are incorrect (brief)
- a, b, c, and d are not incorrect: they correctly state the hydrogen bond acceptor and donor limits, the accepted logP threshold (with an acknowledged alternative metric), and the correct molecular weight limit.

6) Conclusion
- Therefore option e (“Molecular weight more than 500 Da”) is the incorrect statement, which matches the provided correct answer.

Which of the following rule's from Lipinski's Rule of Five is incorrect?单项选择题

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