S/N | Lipinski’s parameters | Other parameters | |||||
---|---|---|---|---|---|---|---|
MW (≤ 500 Da) | Ilogp (< 5) | #H-bond acceptors (≤ 10) | #H-bond donors (≤ 5) | #Lipinski violations | TPSA (< 140 Å2) | nRotB (≤ 10) | |
C-1 | 472.43 | 4.22 | 8 | 2 | 0 | 68.30 | 8 |
C-2 | 429.45 | 3.90 | 6 | 2 | 0 | 92.09 | 7 |
C-3 | 422.43 | 3.65 | 6 | 2 | 0 | 68.30 | 7 |
C-4 | 483.33 | 4.38 | 5 | 2 | 0 | 68.30 | 7 |
C-5 | 530.33 | 4.31 | 5 | 2 | 1 | 68.30 | 7 |
C-6 | 477.44 | 3.24 | 8 | 2 | 0 | 131.19 | 9 |
C-7 | 501.32 | 4.36 | 6 | 2 | 1 | 68.30 | 7 |
C-8 | 456.87 | 4.21 | 6 | 2 | 0 | 68.30 | 7 |
C-9 | 528.33 | 3.90 | 7 | 2 | 1 | 114.12 | 8 |
C-10 | 467.42 | 3.65 | 8 | 2 | 0 | 114.12 | 8 |