分子描述符 | ALogP | C1SP2 | VP-4 | BCUTc-1h | ATSc3 | ATSc4 |
类别 | 1 | 2 | 3 | 4 | 5 | 6 |
斯皮尔曼相关系数 | 0.228** | −0.502** | 0.420** | −0.348** | −0.384** | 0.373** |
BCUTc-1l | mindssC | VCH-7 | MDEC-23 | SsOH | SdS | SssS |
8 | 9 | 10 | 11 | 12 | 13 | 14 |
−0.334** | 0.207** | 0.218** | 0.549** | 0.397** | −0.064** | −0.114** |
minHssNH | minaasC | maxwHBa | maxHBint7 | Maxss0 | ETA_BetaP_s | MDEN-23 |
15 | 16 | 17 | 18 | 21 | 23 | 25 |
−0.301** | −0.057* | 0.182** | 0.117** | 0.351** | −0.196** | −0.279** |