Alternatived Products of [ 300-92-5 ]
Product Details of [ 300-92-5 ]
CAS No. : | 300-92-5 |
MDL No. : | MFCD00055007 |
Formula : |
C36H71AlO5
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | ZFBYSSBIQZUBBE-UHFFFAOYSA-L |
M.W : |
610.93
|
Pubchem ID : | 16682938 |
Synonyms : |
|
Calculated chemistry of [ 300-92-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
41 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.94 |
Num. rotatable bonds : |
32 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
176.94 |
TPSA : |
80.26 ?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) : |
1.73 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
16.41 |
Log Po/w (WLOGP) : |
10.0 |
Log Po/w (MLOGP) : |
7.28 |
Log Po/w (SILICOS-IT) : |
6.13 |
Consensus Log Po/w : |
7.96 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-11.75 |
Solubility : |
0.0000000011 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-18.27 |
Solubility : |
3.22e-16 mg/ml ; 5.43e-19 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-6.11 |
Solubility : |
0.000458 mg/ml ; 0.000000771 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
4.85 |