Alternatived Products of [ 73789-56-7 ]
Product Details of [ 73789-56-7 ]
CAS No. : | 73789-56-7 |
MDL No. : | MFCD09038528 |
Formula : |
C19H15N2P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | NIDTXBFHPXMXTR-UHFFFAOYSA-N |
M.W : |
302.31
|
Pubchem ID : | 11266621 |
Synonyms : |
|
Calculated chemistry of [ 73789-56-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
22 |
Num. arom. heavy atoms : |
18 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
92.95 |
TPSA : |
22.17 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.63 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
4.95 |
Log Po/w (WLOGP) : |
4.0 |
Log Po/w (MLOGP) : |
4.06 |
Log Po/w (SILICOS-IT) : |
4.13 |
Consensus Log Po/w : |
3.43 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.24 |
Solubility : |
0.00174 mg/ml ; 0.00000575 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-5.15 |
Solubility : |
0.00212 mg/ml ; 0.00000702 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-7.67 |
Solubility : |
0.00000646 mg/ml ; 0.0000000214 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.03 |
Categories