Alternatived Products of [ 154212-61-0 ]
Product Details of [ 154212-61-0 ]
CAS No. : | 154212-61-0 |
MDL No. : | MFCD07369527 |
Formula : |
C14H23N3O3S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OSQWRZICKAOBFA-NSHDSACASA-N |
M.W : |
313.42
|
Pubchem ID : | 9818282 |
Synonyms : |
|
Calculated chemistry of [ 154212-61-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.64 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
83.37 |
TPSA : |
110.77 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.63 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.47 |
Log Po/w (XLOGP3) : |
2.23 |
Log Po/w (WLOGP) : |
2.37 |
Log Po/w (MLOGP) : |
0.8 |
Log Po/w (SILICOS-IT) : |
2.26 |
Consensus Log Po/w : |
2.03 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-2.84 |
Solubility : |
0.457 mg/ml ; 0.00146 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.19 |
Solubility : |
0.0202 mg/ml ; 0.0000644 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-2.47 |
Solubility : |
1.05 mg/ml ; 0.00336 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.57 |
Safety of [ 154212-61-0 ]