Athanor by arbastro
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How to make a compound table

Choose View › Compound table. Every structure is a row with its formula, MW, HBD, HBA, rotatable bonds, rings, TPSA, Fsp3 and Rule of five violations. Copy as CSV copies it.

Steps

  1. Draw or insert the structures, for example aspirin and ibuprofen.

  2. Choose Main menu › View › Compound table.

  3. Each structure is a row. Click a column header to sort by it.

    The Compound table for aspirin and ibuprofen with MW, HBD, HBA, rotatable bonds, rings, TPSA, Fsp3 and Ro5.The Compound table for aspirin and ibuprofen with MW, HBD, HBA, rotatable bonds, rings, TPSA, Fsp3 and Ro5.

  4. Press Copy as CSV to paste it into a spreadsheet.

Column Means
HBD, HBA Hydrogen bond donors and acceptors
Rot. Rotatable bonds
TPSA Topological polar surface area, in Ų
Fsp3 Fraction of sp³ carbons
Ro5 Rule of five violations
Names, properties and checksHow to calculate molecular weight, logP and other propertiesSelect the structure and choose Object › Chemistry › Calculate properties. The Compound info panel opens at Calculated, with the formula, exact mass, TPSA, donors, acceptors, rotatable bonds and the Lipinski rule-of-five checks.

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Last updated Nov 12, 2026