Alternatived Products of [ 137219-86-4 ]
Product Details of [ 137219-86-4 ]
CAS No. : | 137219-86-4 |
MDL No. : | MFCD01630821 |
Formula : |
C52H48P2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
734.89
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 137219-86-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
54 |
Num. arom. heavy atoms : |
44 |
Fraction Csp3 : |
0.15 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
244.03 |
TPSA : |
27.18 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-0.6 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
6.92 |
Log Po/w (XLOGP3) : |
14.34 |
Log Po/w (WLOGP) : |
11.64 |
Log Po/w (MLOGP) : |
10.5 |
Log Po/w (SILICOS-IT) : |
16.8 |
Consensus Log Po/w : |
12.04 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-13.57 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-15.0 |
Solubility : |
0.0 mg/ml ; 9.94e-16 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-21.16 |
Solubility : |
5.14e-19 mg/ml ; 7e-22 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.87 |
Safety of [ 137219-86-4 ]