Alternatived Products of [ 50615-66-2 ]
Product Details of [ 50615-66-2 ]
CAS No. : | 50615-66-2 |
MDL No. : | MFCD01076185 |
Formula : |
C14H20O9S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | SFOZKJGZNOBSHF-HTOAHKCRSA-N |
M.W : |
364.37
|
Pubchem ID : | 11100577 |
Synonyms : |
|
Calculated chemistry of [ 50615-66-2 ]
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.71 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
9.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
81.45 |
TPSA : |
153.23 Ų |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-7.79 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.65 |
Log Po/w (XLOGP3) : |
1.03 |
Log Po/w (WLOGP) : |
0.0 |
Log Po/w (MLOGP) : |
-0.3 |
Log Po/w (SILICOS-IT) : |
0.26 |
Consensus Log Po/w : |
0.73 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.15 |
Solubility : |
2.56 mg/ml ; 0.00701 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.84 |
Solubility : |
0.0529 mg/ml ; 0.000145 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.63 |
Solubility : |
85.8 mg/ml ; 0.236 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.83 |