Research Article
Novel Xanthene-1,8-dione Derivatives Containing the Benzylic Ether Tail as Potent Cytotoxic Agents: Design, Synthesis, In Vitro, and In Silico Studies
Table 2
Physicochemical properties of xanthene-1,8-diones.
| | Compound | Molecular weight (Da) | Rotatable bonds count (RBC) | Hydrogen bond acceptor (HBA) | Hydrogen bond donor (HBD) | Clog P |
| | 4a | 400 | 4 | 4 | 0 | 3.75 | | 4b | 478 | 4 | 4 | 0 | 4.61 | | 4c | 434 | 4 | 4 | 0 | 4.46 | | 4d | 418 | 4 | 5 | 0 | 3.89 | | 4e | 418 | 4 | 5 | 0 | 3.89 | | 4f | 418 | 4 | 5 | 0 | 3.89 | | 4g | 414 | 4 | 4 | 0 | 4.25 | | 4h | 434 | 4 | 4 | 0 | 4.46 | | 4i | 430 | 5 | 5 | 0 | 3.49 | | 4j | 508 | 5 | 5 | 0 | 4.35 | | 4k | 464 | 5 | 5 | 0 | 4.20 | | 4l | 448 | 5 | 6 | 0 | 3.63 | | 4m | 448 | 5 | 6 | 0 | 3.63 | | 4n | 448 | 5 | 6 | 0 | 3.63 | | 4o | 444 | 5 | 5 | 0 | 3.99 | | 4p | 464 | 5 | 5 | 0 | 4.20 | | 4q | 425 | 4 | 5 | 0 | 3.18 | | Daunomycin | 527.5 | 4 | 11 | 5 | 0.92 |
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