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. 2020 Jun 19;40(6):BSR20201199. doi: 10.1042/BSR20201199

Table 2. Molecular properties of ISL-1 to ISL-18 and ISL.

Comp. MW (g/mol) log P HBA HBD PSA (Å2) Rule of five
ISL 256.2 2.26 4 3 77.76 Suitable
ISL-1 242.2 3.05 2 1 37.3 Suitable
ISL-2 256.2 3.40 2 1 37.3 Suitable
ISL-3 260.2 3.15 2 1 37.3 Suitable
ISL-4 321.1 3.78 2 1 37.3 Suitable
ISL-5 257.2 2.38 3 2 63.62 Suitable
ISL-6 260.2 3.15 2 1 37.3 Suitable
ISL-7 257.2 2.38 3 2 63.62 Suitable
ISL-8 256.2 3.40 2 1 37.3 Suitable
ISL-9 310.2 3.90 2 1 37.3 Suitable
ISL-10 267.2 2.89 3 1 61.09 Suitable
ISL-11 272.2 2.98 3 1 46.53 Suitable
ISL-12 285.3 2.95 2 1 40.54 Suitable
ISL-13 311.1 4.27 2 1 37.3 Suitable
ISL-14 276.2 2.81 3 2 57.53 Suitable
ISL-15 326.1 3.59 3 2 63.32 Suitable
ISL-16 332.3 2.84 5 1 64.99 Suitable
ISL-17 332.3 2.84 5 1 64.99 Suitable
ISL-18 292.3 4.25 2 1 37.3 Suitable

*Results were predicted using the Osiris property explorer software available at http://www.organic-chemistry.org/prog/peo/. log P: partition coefficient.