Alternatived Products of [ 101395-23-7 ]
Product Details of [ 101395-23-7 ]
CAS No. : | 101395-23-7 |
MDL No. : | N/A |
Formula : |
C44H27Cl3N4O
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | LJDKFVTYJBIMGZ-UHFFFAOYSA-N |
M.W : |
734.07
|
Pubchem ID : | 135869907 |
Synonyms : |
|
Calculated chemistry of [ 101395-23-7 ]
Physicochemical Properties
Num. heavy atoms : |
52 |
Num. arom. heavy atoms : |
34 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
220.52 |
TPSA : |
76.53 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) : |
-2.3 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.81 |
Log Po/w (XLOGP3) : |
11.94 |
Log Po/w (WLOGP) : |
8.9 |
Log Po/w (MLOGP) : |
5.71 |
Log Po/w (SILICOS-IT) : |
11.57 |
Consensus Log Po/w : |
8.78 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-12.13 |
Solubility : |
0.0000000005 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-13.55 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-16.55 |
Solubility : |
0.0 mg/ml ; 2.83e-17 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
7.39 |
Safety of [ 101395-23-7 ]