Is there software available to calculate the 1st and 2nd order functional groups in a molecule?

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Sergey Shityakov

You could try the DRAGON software with 3224 different descriptors to calculate. I hope, this information could be helpful for you.

J. Ignacio Bueso-Bordils

You can use DESMOL and MOLCON-Z programs to calculate connectivity and electrotopological indices up to 4th and 10th order, respectively.

Mehdi Sattari

I am working with DRAGON software for more than 6 years. I think there is no software to calculate 2nd order GCs. It seems it should be done manually.

Anyway, thanks for the responses.