Alternatived Products of [ 1341036-75-6 ]
Product Details of [ 1341036-75-6 ]
CAS No. : | 1341036-75-6 |
MDL No. : | MFCD24384484 |
Formula : |
C14H26N2O2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | CJMRYBSIKXAGFU-UHFFFAOYSA-N |
M.W : | 254.37 g/mol |
Pubchem ID : | 71630750 |
Synonyms : |
|
Calculated chemistry of [ 1341036-75-6 ]
Physicochemical Properties
Num. heavy atoms : |
18 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.93 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
76.15 |
TPSA : |
55.56 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.77 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.08 |
Log Po/w (XLOGP3) : |
1.52 |
Log Po/w (WLOGP) : |
1.99 |
Log Po/w (MLOGP) : |
1.97 |
Log Po/w (SILICOS-IT) : |
1.5 |
Consensus Log Po/w : |
2.01 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.11 |
Solubility : |
1.97 mg/ml ; 0.00775 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.3 |
Solubility : |
1.29 mg/ml ; 0.00507 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.14 |
Solubility : |
1.83 mg/ml ; 0.00719 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.62 |
Safety of [ 1341036-75-6 ]