Alternatived Products of [ 7365-82-4 ]
Product Details of [ 7365-82-4 ]
CAS No. : | 7365-82-4 |
MDL No. : | MFCD00008030 |
Formula : |
C4H10N2O4S
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | DBXNUXBLKRLWFA-UHFFFAOYSA-N |
M.W : |
182.20
|
Pubchem ID : | 81832 |
Synonyms : |
|
Chemical Name : | N-(Carbamoylmethyl)-2-aminoethanesulfonic Acid |
Calculated chemistry of [ 7365-82-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
11 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.75 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
37.59 |
TPSA : |
117.87 ?2 |
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) : |
-10.71 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.45 |
Log Po/w (XLOGP3) : |
-4.65 |
Log Po/w (WLOGP) : |
-0.97 |
Log Po/w (MLOGP) : |
-1.87 |
Log Po/w (SILICOS-IT) : |
-1.9 |
Consensus Log Po/w : |
-1.97 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
2.29 |
Solubility : |
35500.0 mg/ml ; 195.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
2.8 |
Solubility : |
115000.0 mg/ml ; 629.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-0.09 |
Solubility : |
149.0 mg/ml ; 0.82 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.4 |