====== Property calculator ======

ADMET properties heavily depend on physicochemical properties. For example, high logP (> 5) and molecular weight (> 500 g/mol) are typically associated with unsuitable ADMET profile. Property calculator creates a physicochemical property profile for your compound in seconds. You can reject compounds with unsuitable logP, insufficient number of H-bond acceptors/donors, too many rotatable bonds, etc.

1. Go to **[[https://mcule.com/apps/property-calculator/|LEAD OPTIMIZATION / PROPERTY CALCULATOR]]**

2. Specify your existing hit/lead (either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey)

3. Click on **"CALCULATE"**

4. Check the calculated properties of your original hit/lead. Depending on your **[[https://mcule.com/pricing/|Price Plan]]**, you might see **Basic** as well as **Advanced** properties. Notice if there are properties in unsuitable/unacceptable ranges (e.g. too high logP).

5. Go back and draw a slightly modified version of your hit/lead

6. Click on **"CALCULATE"**

7. After the calculation finishes you can check the individual properties and see if problematic properties got improved due to your modification in the hit/lead structure

8. You can use the other Lead Optimization tools, such as **[[https://mcule.com/apps/1-click-docking/|1-Click Docking]]** and **[[https://mcule.com/apps/toxicity-checker/|Toxicity Checker]]** to make sure other properties of the ligand are not impaired. In fact, try to improve multiple things simultaneously by checking all properties of the same idea.

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