L-Threonine
IUPAC NAme: -
CAS Number: 72-19-5
Class: -
Plants contain this compound
1 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 49 |
ถั่วเหลือง |
- |
Glycine max (L.) Merr. |
Faboideae |
2D Structure
Compound Properties
Smile
C[C@@H](O)[C@H](N)C(O)=O
Physicochemical Properties
| Formula |
C4H9NO3 |
| Molecular wieght(g/mol) |
119.12 |
| Num. of Heavy atoms |
8 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.75 |
| Num. of Rotatable bonds |
2 |
| Num. of H-bond acceptors |
4 |
| Num. of H-bonds donors |
3 |
| Molar Refractivity |
26.98 |
| TPSA (square Angstrom) |
83.55 |
Lipophilicity
| iLOGP |
0.33 |
| XLOGP3 |
-2.94 |
| WLOGP |
-1.22 |
| MLOGP |
-3.46 |
| Silicos-IT LOGP |
-1.36 |
| Consensus LOGP |
-1.73 |
Water Solubility
| ESOL |
|
| LogS |
1.41 |
Solubility(mg/ml) |
3.03E+03 |
Solubility(mol/l) |
2.54E+01 |
Class |
Highly soluble |
| Ali |
|
| LogS |
1.75 |
Solubility(mg/ml) |
6.62E+03 |
Solubility(mol/l) |
5.56E+01 |
Class |
Highly soluble |
| Silicos-IT |
|
| LogS |
1.25 |
Solubility(mg/ml) |
2.10E+03 |
Solubility(mol/l) |
1.76E+01 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-9.11 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
4 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
3 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
1.79 |
