Alternatived Products of [ 2092310-65-9 ]
Product Details of [ 2092310-65-9 ]
CAS No. : | 2092310-65-9 |
MDL No. : | MFCD30730705 |
Formula : |
C5H10O3S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | N/A |
M.W : | 150.20 g/mol |
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of of [ 2092310-65-9 ]
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
34.16 |
TPSA : |
62.75 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) : |
-7.54 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.89 |
Log Po/w (XLOGP3) : |
-0.46 |
Log Po/w (WLOGP) : |
0.64 |
Log Po/w (MLOGP) : |
-0.48 |
Log Po/w (SILICOS-IT) : |
-0.18 |
Consensus Log Po/w : |
0.08 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.42 |
Solubility : |
57.7 mg/ml ; 0.384 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.39 |
Solubility : |
61.0 mg/ml ; 0.406 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.25 |
Solubility : |
85.0 mg/ml ; 0.566 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.24 |
Safety of [ 2092310-65-9 ]