Alternatived Products of [ 2375652-84-7 ]
Product Details of [ 2375652-84-7 ]
CAS No. : | 2375652-84-7 |
MDL No. : | N/A |
Formula : |
C42H28N2O2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | CMNFDXWEKHRHTH-UHFFFAOYSA-N |
M.W : |
592.68
|
Pubchem ID : | 154729875 |
Synonyms : |
|
Calculated chemistry of [ 2375652-84-7 ]
Physicochemical Properties
Num. heavy atoms : |
46 |
Num. arom. heavy atoms : |
40 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
191.47 |
TPSA : |
86.18 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-3.45 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.99 |
Log Po/w (XLOGP3) : |
9.1 |
Log Po/w (WLOGP) : |
10.06 |
Log Po/w (MLOGP) : |
5.67 |
Log Po/w (SILICOS-IT) : |
9.91 |
Consensus Log Po/w : |
7.75 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-9.5 |
Solubility : |
0.00000019 mg/ml ; 0.0000000003 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-10.8 |
Solubility : |
0.0000000093 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-15.54 |
Solubility : |
0.0 mg/ml ; 2.9e-16 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.19 |
Safety of [ 2375652-84-7 ]