Alternatived Products of [ 4793-38-8 ]
Product Details of [ 4793-38-8 ]
CAS No. : | 4793-38-8 |
MDL No. : | MFCD30747011 |
Formula : |
C12H15ClN2O5S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | CWQFVCNJRVCZFP-UHFFFAOYSA-N |
M.W : |
334.78
|
Pubchem ID : | 44432678 |
Synonyms : |
|
Calculated chemistry of [ 4793-38-8 ]
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.42 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
76.91 |
TPSA : |
127.1 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) : |
-7.22 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.23 |
Log Po/w (XLOGP3) : |
1.58 |
Log Po/w (WLOGP) : |
2.17 |
Log Po/w (MLOGP) : |
-0.83 |
Log Po/w (SILICOS-IT) : |
0.5 |
Consensus Log Po/w : |
0.93 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-2.79 |
Solubility : |
0.54 mg/ml ; 0.00161 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.86 |
Solubility : |
0.0462 mg/ml ; 0.000138 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-3.0 |
Solubility : |
0.335 mg/ml ; 0.001 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.85 |