| 序号 | 分子描述符名称 |
| 1 | MDEC-23 |
| 2 | MLogP |
| 3 | LipoaffinityIndex |
| 4 | nC |
| 5 | CrippenLogP |
| 6 | maxsOH |
| 7 | AMR |
| 8 | ATSp5 |
| 9 | SwHBa |
| 10 | ATSp4 |
| 11 | ATSp2 |
| 12 | ATSp1 |
| 13 | SP-5 |
| 14 | apol |
| 15 | minsssN |
| 16 | C2SP2 |
| 17 | minsOH |
| 18 | fragC |
| 19 | SaaCH |
| 20 | VP-5 |