Myristic acid
IUPAC NAme: -
CAS Number: 544-63-8
Class: -
Plants contain this compound
2 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 4 |
โด่ไม่รู้ล้ม |
- |
Elephantopus scaber L. |
Asteraceae |
| 17 |
กระบก |
- |
Irvingia malayana Oliv. ex A.W.Benn. |
Irvingiaceae |
2D Structure
Compound Properties
Smile
CCCCCCCCCCCCCC(O)=O
Physicochemical Properties
| Formula |
C14H28O2 |
| Molecular wieght(g/mol) |
228.37 |
| Num. of Heavy atoms |
16 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.93 |
| Num. of Rotatable bonds |
12 |
| Num. of H-bond acceptors |
2 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
71.18 |
| TPSA (square Angstrom) |
37.30 |
Lipophilicity
| iLOGP |
3.32 |
| XLOGP3 |
6.11 |
| WLOGP |
4.77 |
| MLOGP |
3.69 |
| Silicos-IT LOGP |
4.37 |
| Consensus LOGP |
4.45 |
Water Solubility
| ESOL |
|
| LogS |
-4.31 |
Solubility(mg/ml) |
1.11E-02 |
Solubility(mol/l) |
4.86E-05 |
Class |
Moderately soluble |
| Ali |
|
| LogS |
-6.67 |
Solubility(mg/ml) |
4.83E-05 |
Solubility(mol/l) |
2.11E-07 |
Class |
Poorly soluble |
| Silicos-IT |
|
| LogS |
-4.51 |
Solubility(mg/ml) |
7.12E-03 |
Solubility(mol/l) |
3.12E-05 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-3.35 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| Veber Num. violations |
1 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
2.09 |
