Compound No. | Structure | Glide_XP Score (kcal/mol) | Ligand Efficiency* (kcal/mol) |
2a |
| −7.46 | −0.39 |
2b |
| −7.64 | −0.38 |
2c |
| −8.27 | −0.38 |
Doxorubicin |
| −10.07 | −0.26 |