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
| 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 |