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. 2023 Oct 10;13(42):29749–29767. doi: 10.1039/d3ra05799b

Calculated descriptors values.

Compound no. AATS6p AATS7p AATS8p AATS0i SpMax4_Bhv
3 1.3495 1.3192 1.4282 160.1803 3.4539
4 1.2542 1.2236 1.3132 162.531 3.4523
5a 1.3177 1.2991 1.2796 160.643 3.5643
5b 1.3895 1.3419 1.2944 157.6286 3.5792
5c 1.229 1.3354 1.3717 160.462 3.5364
5d 1.4044 1.3469 1.309 163.3607 3.5039
6 1.3196 1.2695 1.2569 165.019 3.4937