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. 2022 Jul 16;29(9):103375. doi: 10.1016/j.sjbs.2022.103375

Table 3.

Lipinski rules of five values of best docked compounds.

Compound Druglikeness
500 ≥ MW (g/mol) 10 ≥ N or O 5 ≥ NH or OH 4.15 ≥ MLogP Violation
Antirhine 296.41 3 2 2.63 0
Tetrahydrosecamine 680.92 8 1 4.42 2
Presecamine 676.89 8 1 5.03 2
Strictosamide 498.53 10 5 −0.43 0
Strictosidine 530.57 11 6 −0.59 3
Leepacine 350.41 5 1 2.21 0
Secamine 676.89 8 1 4.29 2
Dihydrosecamine 678.90 8 1 4.35 2
16-Hydrorhazisidine 651.98 7 1 4.55 2
HR-1 379.51 6 1 2.11 0
Rhazimol 363.51 5 1 2.11 0
Rhazizine 379.51 6 1 1.86 0
Decarboxytetrahydrosecamine 622.88 6 1 4.93 2
Quercetin 302.24 7 5 −0.56 0
Quercetin-3-rhamnoside 448.38 11 7 −1.84 2
Isoquercetin 464.38 12 8 −2.59 2
Rutin 610.52 16 10 −3.89 3
Apigenin 270.24 5 3 0.52 0
Luteolin 286.24 6 4 −0.03 0
Luteolin-7-glucoside 448.38 11 7 −2.10 2
kaempferol rhamnoside rutinoside 740.66 19 11 −4.77 3
CID: 9,603,606 285.36 4 1 1.68 0
CID: 2,936,295 366.84 4 0 3.70 0
Leuconolam 326.39 5 2 1.76 0
Strictamine N-oxide 338.40 5 0 0.69 0
Rhazicine 368.43 6 2 1.80 0
Strictisidine 348.40 5 0 2.13 0
kaempferol 286.24 6 4 −0.03 0
3-epi-Antirhine 296.41 3 2 2.63 0
Condylocarpine 322.40 4 1 2.82 0
Tetrahydroalstonine 352.43 5 1 2.13 0
Rhazinaline 350.41 5 0 2.13 0
Stricticine 338.40 5 1 2.07 0
Serpentine 349.40 5 1 2.21 0
Rhazinilam 294.39 3 1 2.99 0
Yohimbine 354.44 5 2 2.21 0
Rhazine 354.44 5 0 2.70 0
2-Methoxy 1–2 dihydrorhazamine 382.45 6 1 2.02 0
Isorhazicine 368.43 6 2 1.80 0
Oseltamivir 312.40 6 2 0.63 0