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.