Alternatived Products of [ 1357910-26-9 ]
Product Details of [ 1357910-26-9 ]
CAS No. : | 1357910-26-9 |
MDL No. : | MFCD26967853 |
Formula : |
C29H36O15
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
624.59
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 1357910-26-9 ]
Physicochemical Properties
Num. heavy atoms : |
44 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.48 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
15.0 |
Num. H-bond donors : |
9.0 |
Molar Refractivity : |
148.42 |
TPSA : |
245.29 Ų |
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) : |
-10.46 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.56 |
Log Po/w (XLOGP3) : |
-0.5 |
Log Po/w (WLOGP) : |
-1.12 |
Log Po/w (MLOGP) : |
-2.37 |
Log Po/w (SILICOS-IT) : |
-1.14 |
Consensus Log Po/w : |
-0.52 |
Druglikeness
Lipinski : |
3.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
1.0 |
Muegge : |
4.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-2.87 |
Solubility : |
0.836 mg/ml ; 0.00134 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.18 |
Solubility : |
0.0409 mg/ml ; 0.0000655 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-0.22 |
Solubility : |
377.0 mg/ml ; 0.604 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
1.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.38 |
Safety of [ 1357910-26-9 ]