Alternatived Products of [ 1310327-18-4 ]
Product Details of [ 1310327-18-4 ]
CAS No. : | 1310327-18-4 |
MDL No. : | MFCD28142484 |
Formula : |
C17H25NO7
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | SBHUTZVKPJPFBD-UHFFFAOYSA-N |
M.W : |
355.38
|
Pubchem ID : | 86276405 |
Synonyms : |
|
Calculated chemistry of [ 1310327-18-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.53 |
Num. rotatable bonds : |
16 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
88.98 |
TPSA : |
103.32 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-8.12 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.83 |
Log Po/w (XLOGP3) : |
0.49 |
Log Po/w (WLOGP) : |
1.29 |
Log Po/w (MLOGP) : |
0.31 |
Log Po/w (SILICOS-IT) : |
2.06 |
Consensus Log Po/w : |
1.39 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-1.47 |
Solubility : |
11.9 mg/ml ; 0.0336 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.23 |
Solubility : |
2.1 mg/ml ; 0.0059 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-4.33 |
Solubility : |
0.0165 mg/ml ; 0.0000465 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.25 |
Safety of [ 1310327-18-4 ]