Alternatived Products of [ 885275-27-4 ]
Product Details of [ 885275-27-4 ]
CAS No. : | 885275-27-4 |
MDL No. : | MFCD04115133 |
Formula : |
C14H20N2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ZLFPWTIKFBLPGM-UHFFFAOYSA-N |
M.W : |
216.32
|
Pubchem ID : | 42614542 |
Synonyms : |
|
Calculated chemistry of [ 885275-27-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
16 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.57 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
74.1 |
TPSA : |
15.27 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.41 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.69 |
Log Po/w (XLOGP3) : |
1.71 |
Log Po/w (WLOGP) : |
0.96 |
Log Po/w (MLOGP) : |
2.28 |
Log Po/w (SILICOS-IT) : |
2.68 |
Consensus Log Po/w : |
2.07 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.4 |
Solubility : |
0.853 mg/ml ; 0.00394 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-1.65 |
Solubility : |
4.88 mg/ml ; 0.0226 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-4.12 |
Solubility : |
0.0162 mg/ml ; 0.000075 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.35 |
Safety of [ 885275-27-4 ]