Alternatived Products of [ 17636-10-1 ]
Product Details of [ 17636-10-1 ]
CAS No. : | 17636-10-1 |
MDL No. : | MFCD00043148 |
Formula : |
C3H7NaO3S2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | FRTIVUOKBXDGPD-UHFFFAOYSA-M |
M.W : |
178.21
|
Pubchem ID : | 23672317 |
Synonyms : |
|
Calculated chemistry of [ 17636-10-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
33.15 |
TPSA : |
104.38 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-4.41 |
Log Po/w (XLOGP3) : |
-0.24 |
Log Po/w (WLOGP) : |
0.93 |
Log Po/w (MLOGP) : |
-0.14 |
Log Po/w (SILICOS-IT) : |
-0.18 |
Consensus Log Po/w : |
-0.81 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.6 |
Solubility : |
45.2 mg/ml ; 0.254 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.49 |
Solubility : |
5.71 mg/ml ; 0.0321 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.54 |
Solubility : |
51.3 mg/ml ; 0.288 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.84 |