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Table 3 Computational parameters of drug-likeness and ADME properties of compounds isolated from Malagasy medicinal plants traditionally used to treat cancer

From: In silico studies on the interaction of four cytotoxic compounds with angiogenesis target protein HIF-1α and human androgen receptor and their ADMET properties

Compound MW (Da) BioS nRB Log P HBD HBA TPS (Å2) Log S Log Kp (cm/s)
1 374.34 0.55 1 2.32 2 6 108.74 − 4.76 − 5.94
2 418.40 0.56 3 2.65 2 7 117.97 − 3.80 − 7.25
3 290.40 0.55 2 3.95 0 1 9.23 − 5.72 − 3.78
4 464.64 0.55 2 4.25 1 4 63.60 − 6.54 − 4.68
  1. MW, molecular weight; BioS, bioavailability score; nRB, number of rotatable bond; Log P, partition coefficient; HBD, hydrogen bond donor; HBA, hydrogen bond acceptor; TPS, total polar surface; Log S, solubility; Log Kp skin permeation