Alternatived Products of [ 1215857-68-3 ]
Product Details of [ 1215857-68-3 ]
CAS No. : | 1215857-68-3 |
MDL No. : | MFCD31567256 |
Formula : |
C20H36S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OEKNWJQSAYEBFD-UHFFFAOYSA-N |
M.W : |
308.56
|
Pubchem ID : | 67507457 |
Synonyms : |
|
Calculated chemistry of [ 1215857-68-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.8 |
Num. rotatable bonds : |
14 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
101.39 |
TPSA : |
28.24 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-1.27 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.21 |
Log Po/w (XLOGP3) : |
9.73 |
Log Po/w (WLOGP) : |
7.63 |
Log Po/w (MLOGP) : |
5.77 |
Log Po/w (SILICOS-IT) : |
8.47 |
Consensus Log Po/w : |
7.36 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.14 |
Solubility : |
0.0000226 mg/ml ; 0.0000000732 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-10.24 |
Solubility : |
0.0000000177 mg/ml ; 0.0000000001 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-7.74 |
Solubility : |
0.00000567 mg/ml ; 0.0000000184 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.76 |
Safety of [ 1215857-68-3 ]