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Table 5 ADME/T and toxicological properties prediction of the bioactive compounds

From: Scrutinizing pharmacological efficiency for Acacia auriculiformis by experimental and computational approach

Compounds ADME/T Toxicological properties
Compounds MW (< 500 g/mol) HBD (< 5) HBA (< 10) LogP (< 5) ROFV Ames Toxicity Carcinogens AOT ROT
2,4-Ditert-butylphenol 206.32 1 1 4.9 0 NAT NC III 2.2064
2-Palmitoylglycerol 330.5 4 2 6.1 1 NAT NC IV 1.0285
3-Hydroxy-β-damascone 208.30 3.7 1 2.02 0 NAT NC III 2.1347
α-Monostearin 358.6 4 2 7.4 1 NAT NC IV 0.1872
  1. MW Molecular weight (acceptable range: ˂ 500 g/mol), HBA Hydrogen bond acceptor (acceptable range: ≤ 10), HBD Hydrogen bond donor (acceptable range: ≤ 5), Log P High lipophilicity (acceptable range, < 5), ROFV Rule of five violations, NAT Non-Ames toxic, NC Non-carcinogenic; Category III means 500 mg/kg > LD50 < 5000 mg/kg; Category IV means LD50 > 5000 mg/kg