Alternatived Products of [ 99094-20-9 ]
Product Details of [ 99094-20-9 ]
CAS No. : | 99094-20-9 |
MDL No. : | N/A |
Formula : |
C26H22N2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
362.47
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 99094-20-9 ]
Physicochemical Properties
Num. heavy atoms : |
28 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
119.59 |
TPSA : |
52.04 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-3.83 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.13 |
Log Po/w (XLOGP3) : |
6.6 |
Log Po/w (WLOGP) : |
5.87 |
Log Po/w (MLOGP) : |
5.15 |
Log Po/w (SILICOS-IT) : |
5.22 |
Consensus Log Po/w : |
5.19 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.62 |
Solubility : |
0.0000878 mg/ml ; 0.000000242 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.49 |
Solubility : |
0.0000117 mg/ml ; 0.0000000321 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-9.27 |
Solubility : |
0.000000194 mg/ml ; 0.0000000005 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.57 |