Alternatived Products of [ 143-18-0 ]
Product Details of [ 143-18-0 ]
CAS No. : | 143-18-0 |
MDL No. : | MFCD00064243 |
Formula : |
C18H33KO2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | MLICVSDCCDDWMD-KVVVOXFISA-M |
M.W : |
320.55
|
Pubchem ID : | 23665571 |
Synonyms : |
|
Calculated chemistry of [ 143-18-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.83 |
Num. rotatable bonds : |
15 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
88.0 |
TPSA : |
40.13 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-2.83 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-6.54 |
Log Po/w (XLOGP3) : |
7.64 |
Log Po/w (WLOGP) : |
4.77 |
Log Po/w (MLOGP) : |
4.57 |
Log Po/w (SILICOS-IT) : |
5.95 |
Consensus Log Po/w : |
3.28 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.65 |
Solubility : |
0.000717 mg/ml ; 0.00000224 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-8.32 |
Solubility : |
0.00000153 mg/ml ; 0.0000000048 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-5.39 |
Solubility : |
0.00129 mg/ml ; 0.00000404 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.2 |