Alternatived Products of [ 59229-09-3 ] Product Details of [ 59229-09-3 ]
CAS No. : | 59229-09-3 | MDL No. : | MFCD00012810 |
Formula : |
C15H19NO3S
| Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : |
293.38
| Pubchem ID : | - |
Synonyms : | |
Calculated chemistry of [ 59229-09-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : | 20 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.27 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 80.4 |
TPSA : | 75.64 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) : | -5.92 cm/s |
Lipophilicity
Log Po/w (iLOGP) : | 2.46 |
Log Po/w (XLOGP3) : | 3.05 |
Log Po/w (WLOGP) : | 4.33 |
Log Po/w (MLOGP) : | 2.28 |
Log Po/w (SILICOS-IT) : | 2.73 |
Consensus Log Po/w : | 2.97 |
Druglikeness
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Water Solubility
Log S (ESOL) : | -3.96 |
Solubility : | 0.0323 mg/ml ; 0.00011 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.3 |
Solubility : | 0.0145 mg/ml ; 0.0000496 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.14 |
Solubility : | 0.214 mg/ml ; 0.000728 mol/l |
Class : | Soluble |
Medicinal Chemistry
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.34 |