Alternatived Products of [ 73468-85-6 ]
Product Details of [ 73468-85-6 ]
CAS No. : | 73468-85-6 |
MDL No. : | MFCD04974244 |
Formula : |
C16H26O2Rh2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | HSFFMOISCNXZCL-MIXQCLKLSA-N |
M.W : |
456.19
|
Pubchem ID : | 11144911 |
Synonyms : |
|
Calculated chemistry of [ 73468-85-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
78.89 |
TPSA : |
40.46 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-4.87 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
5.93 |
Log Po/w (WLOGP) : |
4.99 |
Log Po/w (MLOGP) : |
2.69 |
Log Po/w (SILICOS-IT) : |
2.28 |
Consensus Log Po/w : |
3.18 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.4 |
Solubility : |
0.00018 mg/ml ; 0.000000394 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-6.55 |
Solubility : |
0.000127 mg/ml ; 0.000000279 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-1.1 |
Solubility : |
36.0 mg/ml ; 0.0789 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.68 |