Research Article
Virtual Screening and Network Pharmacology-Based Study to Explore the Pharmacological Mechanism of Clerodendrum Species for Anticancer Treatment
Table 1
Statistical parameters of 8 molecular descriptors in NCs and Drugs Library.
| Descriptor Variable | NPs (194 molecules) | Drugs (46 molecules) | Min | Max | Mean | Median | Std. Dev. | Min | Max | Mean | Median | Std. Dev. |
| ALogP | −8.80 | 3.58 | −1.33 | −1.12 | 2.33 | −3.38 | 11.57 | −0.70 | −1.17 | 2.52 | Molecular weight | 110.04 | 1062.50 | 398.10 | 387.20 | 172.82 | 150.10 | 853.33 | 414.53 | 361.17 | 191.21 | Num H-Donors | 0.00 | 13.00 | 3.05 | 2.00 | 2.74 | 0.00 | 15.00 | 4.76 | 3.00 | 4.28 | Num H-Acceptors | 0.00 | 23.00 | 4.98 | 3.00 | 4.89 | 0.00 | 6.00 | 2.34 | 2.00 | 1.75 | Num rotatable bonds | 0.00 | 33.00 | 5.86 | 4.00 | 6.03 | 0.00 | 17.00 | 5.33 | 4.00 | 4.55 | Num of rings | 0.00 | 10.00 | 3.28 | 2.00 | 1.71 | 0.00 | 9.00 | 3.78 | 3.00 | 2.32 | Lipinski failure | 0.00 | 3.00 | 0.84 | 1.00 | 0.96 | 0.00 | 3.00 | 0.54 | 0.00 | 0.82 | Total polar surface area | 0.00 | 327.6 | 104.28 | 84.40 | 75.93 | 0.00 | 224.45 | 97.50 | 89.06 | 54.68 |
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