Table 1. Physicochemical Properties of the Selective Compounds and Known Inhibitors against SphK1 Following Lipinski’s Rule.
s. no. | compound ID | molecular formula | molecular weight | rotatable bond | H-bond acceptor | H-bond donor | log P |
---|---|---|---|---|---|---|---|
1 | ZINC05434006 | C27H25N5O4 | 460.53 | 5 | 7 | 2 | 4.48 |
2 | ZINC04260971 | C26H28N4O4 | 483.52 | 6 | 7 | 2 | 4.26 |
3 | PF-543 | C27H31NO4S | 465.60 | 9 | 5 | 1 | 4.50 |
4 | SKI-II | C15H11ClN2OS | 302.80 | 3 | 4 | 2 | 4.80 |