Alternatived Products of [ 63295-48-7 ]
Product Details of [ 63295-48-7 ]
CAS No. : | 63295-48-7 |
MDL No. : | MFCD15144785 |
Formula : |
C3F9FeO9S3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OSHOQERNFGVVRH-UHFFFAOYSA-K |
M.W : |
503.05
|
Pubchem ID : | 11656316 |
Synonyms : |
|
Calculated chemistry of [ 63295-48-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
18.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
47.39 |
TPSA : |
196.74 ?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) : |
-8.68 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-34.0 |
Log Po/w (XLOGP3) : |
0.97 |
Log Po/w (WLOGP) : |
7.18 |
Log Po/w (MLOGP) : |
-0.35 |
Log Po/w (SILICOS-IT) : |
2.23 |
Consensus Log Po/w : |
-4.79 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
2.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.37 |
Solubility : |
0.214 mg/ml ; 0.000425 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.69 |
Solubility : |
0.0103 mg/ml ; 0.0000204 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-0.1 |
Solubility : |
401.0 mg/ml ; 0.798 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.59 |
Categories