Skip to main content

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