Multiple Attachment Points

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If you have well-defined multiple attachment points on your structure fragments, you can perform searches for specific materials. This type of search is especially useful for searching for conformationally similar structures.

For example, you want to find the two compounds below:

However, you are not interested in the two compounds below:

By specifying the attachment points order, you can exclude the unwanted compounds. The parent structure below satisfies the necessary requirements.

To specify the attachment points order:

1. Draw the parent structure shown below.

2. Create an Alternative Group Box labeled "R1".

3. Draw the structure fragments and label them with attachment points.

When the alternative group definition is complete, the attachment point symbols appear in the parent compound.

By numbering your attachment points, you have unambiguously specified that the methyl group must be adjacent to the amine group. The conformations that are not of interest are excluded.