Name | Dock score | LigScore | Binding energy | H-bond quantity | pi quantity | Predicted activity | ||
---|---|---|---|---|---|---|---|---|
SVM* | MLR* | BNT* | ||||||
5-Hydroxy-L-tryptophan | 131.298 | 4.48 | − 271.189 | 4 | 3 | 4.629 | 5.837 | 3.990 |
Merresectine C | 124.475 | 4.97 | − 383.479 | 2 | 2 | 4.694 | 4.194 | 5.742 |
Bufotenine | 121.222 | 4.08 | − 339.691 | 4 | 1 | 4.783 | 4.812 | 4.090 |
Physostigmine | 119.468 | 3.55 | − 355.47 | 1 | 2 | 4.624 | 5.896 | 5.521 |
Datumetine | 119.025 | 3.66 | − 355.395 | 2 | 1 | 4.628 | 5.922 | 5.597 |
Neostemonine | 119.006 | 3.49 | − 318.602 | 1 | 2 | 4.607 | 4.308 | 5.614 |
(+)-N-Methyl tryptophan methyl ester (S) | 118.319 | 3.4 | − 343.524 | 2 | 1 | 4.745 | 4.999 | 4.760 |
Stephanthrine | 117.947 | 4.16 | − 302.581 | 1 | 4 | 4.625 | 6.282 | 5.961 |
Stephenanthrine | 117.947 | 4.15 | − 302.966 | 1 | 4 | 4.625 | 6.282 | 5.961 |
Tetrahydroharmol | 117.175 | 3.31 | − 336.938 | 2 | 5 | 4.800 | 5.653 | 4.961 |
Arbutin* | 60.167 | 4.86 | − 187.707 | 5 | 0 | 4.871 | 5.710 | 4.331 |