Research Article
Mechanism of Synsepalum dulcificum Daniell. Inhibiting Lung Adenocarcinoma
Table 3
ADME information of the compound after screening.
| Name | Inchikey | MW | AlogP | Hdon | Hacc | OB (%) | Caco-2 | BBB | DL | FASA | TPSA | RBN | HL |
| Quercetin | REFJWTPEDVJJIY-UHFFFAOYSA-N | 302.25 | 1.5 | 5 | 7 | 46.43 | 0.05 | −0.77 | 0.28 | 131.36 | 0.38 | 1 | 14.4 | Oleanolic acid | MIJYXULNPSFWEK-GTOFXWBISA-N | 456.78 | 6.42 | 2 | 3 | 29.02 | 0.59 | 0.07 | 0.76 | 57.53 | 0.25 | 1 | 0 | Kaempferol | IYRMWMYZSQPJKC-UHFFFAOYSA-N | 286.25 | 1.77 | 4 | 6 | 41.88 | 0.26 | −0.55 | 0.24 | 111.13 | 0 | 1 | 14.74 | (+)-Catechin | PFTAWBLQPZVEMU-DZGCQCFKSA-N | 290.29 | 1.92 | 5 | 6 | 54.83 | −0.03 | −0.73 | 0.24 | 110.38 | 0 | 1 | 0.61 | Morin | YXOLAZRVSSWPPT-UHFFFAOYSA-N | 302.25 | 1.5 | 5 | 7 | 46.23 | 0 | −0.77 | 0.27 | 131.36 | 0.41 | 1 | 15.51 | Erucamide | UAUDZVJPLUQNMU-KTKRTIGZSA-N | 337.66 | 8.06 | 2 | 2 | 27.85 | 1.27 | 0.75 | 0.26 | 43.09 | 0.18 | 19 | 0 | Lanosterol | CAHGCLMLTWQZNJ-BQNIITSRSA-N | 426.8 | 8.12 | 1 | 1 | 42.12 | 1.52 | 1.18 | 0.75 | 20.23 | 0.23 | 4 | 5.84 | (±)-Taxifolin | CXQWRCVTCMQVQX-LSDHHAIUSA-N | 304.27 | 1.49 | 5 | 7 | 57.84 | −0.23 | −0.8 | 0.27 | 127.45 | 0.39 | 1 | 14.41 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | 458.4 | 2.89 | 8 | 11 | 55.09 | −0.57 | −1.7 | 0.77 | 197.37 | 0.37 | 4 | 1.7 | Guanosine | NYHBQMYGNKIUIF-UUOKFMHZSA-N | 283.28 | −2.41 | 6 | 9 | 20.9 | −1.22 | −1.91 | 0.21 | 159.51 | 0.27 | 2 | 0 | Betaine | KWIUHFFTVRNATP-UHFFFAOYSA-N | 341.29 | 2.9 | 1 | 7 | 24.8 | 0.36 | −0.35 | 0.55 | 110.81 | 0.05 | 3 | 0 |
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