Alternatived Products of [ 32620-11-4 ]
Product Details of [ 32620-11-4 ]
CAS No. : | 32620-11-4 |
MDL No. : | MFCD00145257 |
Formula : |
C4H9NO3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | KNTFCRCCPLEUQZ-VKHMYHEASA-N |
M.W : |
119.12
|
Pubchem ID : | 88250 |
Synonyms : |
|
Calculated chemistry of [ 32620-11-4 ]
Physicochemical Properties
Num. heavy atoms : |
8 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.75 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
26.91 |
TPSA : |
72.55 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-9.07 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.48 |
Log Po/w (XLOGP3) : |
-2.88 |
Log Po/w (WLOGP) : |
-0.96 |
Log Po/w (MLOGP) : |
-3.46 |
Log Po/w (SILICOS-IT) : |
-1.04 |
Consensus Log Po/w : |
-1.57 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
1.43 |
Solubility : |
3230.0 mg/ml ; 27.2 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
1.91 |
Solubility : |
9770.0 mg/ml ; 82.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.57 |
Solubility : |
447.0 mg/ml ; 3.75 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.83 |