Table 7.
ADME properties of methanol extract of C. pectinata by QikProp.
| Name | MW1 | HBD2 | HBA3 | Log P4 | ROTB5 | PHOA6 | RO5V7 |
|---|---|---|---|---|---|---|---|
| 3-Methylsalicylic acid | 152.15 | 2 | 3 | 2.9 | 1 | 75.399 | 0 |
| 2,5-Dihydroxybenzoic acid | 154.12 | 3 | 4 | 1.6 | 1 | 58.745 | 0 |
| Sorbitol | 182.17 | 6 | 6 | -3.1 | 5 | 30.771 | 1 |
| Phytol | 296.5 | 1 | 1 | 8.2 | 13 | 100 | 1 |
| Hexadecanoic acid, 15-methyl-, methyl ester | 284.5 | 0 | 2 | 8.2 | 15 | 100 | 1 |
| 11,14-Eicosadienoic acid, methyl ester | 322.5 | 0 | 2 | 8 | 17 | 100 | 1 |
| Linoleic acid ethyl ester | 308.506 | 0 | 2 | 7.3 | 16 | 100 | 1 |
| Decanal | 156.26 | 0 | 1 | 3.8 | 8 | 100 | 0 |
| 13-Docosenamide, (Z)- | 337.6 | 1 | 1 | 8.8 | 19 | 100 | 1 |
| 3,4-Dihydroxymandelic acid | 184.15 | 4 | 5 | -0.6 | 2 | 44.236 | 0 |
1
Molecular weight, MW (acceptable range: < 500 g/mol).
2
Hydrogen bond donor, HBD (acceptable range: ≤5).
3
Hydrogen bond acceptor, HBA (acceptable range: ≤10).
4
High lipophilicity (LogP, acceptable range: <5).
5
Rotatable bond, ROTB (≤10).
6
% Human oral absorption.
7
Rule of five violations.