Alternatived Products of [ 14167-18-1 ]
Product Details of [ 14167-18-1 ]
CAS No. : | 14167-18-1 |
MDL No. : | MFCD00000009 |
Formula : |
C16H16CoN2O2
|
Boiling Point : |
- |
Linear Structure Formula : | OC6H4CHNCH2CH2NCHC6H4OCo |
InChI Key : | - |
M.W : |
327.24
|
Pubchem ID : | - |
Synonyms : |
|
Chemical Name : | N,N'-Ethylenebis(salicylideneiminato)cobalt(II) |
Calculated chemistry of [ 14167-18-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.12 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
84.6 |
TPSA : |
58.86 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-6.67 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.27 |
Log Po/w (WLOGP) : |
2.15 |
Log Po/w (MLOGP) : |
1.17 |
Log Po/w (SILICOS-IT) : |
-0.24 |
Consensus Log Po/w : |
1.07 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.71 |
Solubility : |
0.0635 mg/ml ; 0.000195 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.14 |
Solubility : |
0.234 mg/ml ; 0.00072 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-5.31 |
Solubility : |
0.00159 mg/ml ; 0.00000488 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
4.63 |
Categories