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. 2022 Jan 15;76(5):2759–2776. doi: 10.1007/s11696-022-02067-6

Table 2.

Molecular configuration, drug-likeness properties and ADMET properties of preferred phytochemical Parthenolide (Data collected by ADMETsar)

Physiochemical properties Parthenolide Lipophilicity Parthenolide Drug-likeness Parthenolide
Molecular weight 248.32 g/mol iLOGP 2.49 Lipinski Yes, 0 violation
Heavy atoms 18 XLOGP3 2.34 Ghose Yes
Rotatable bonds 0 WLOGP 2.76 Veber Yes
H-Acceptor bonds 3 MLOGP 2.47 Egan Yes
H-donor bonds 0 SILICOS-IT 3.12 Mugge’s Yes
Molar refractivity 69.34 Consensus 2.64 Bioavailability Score 0.55
TPSA 38.83 Å2 Solubility 4.02 × 10–1 mg/ml PAINS 0 alert