Alternatived Products of [ 29964-62-3 ]
Product Details of [ 29964-62-3 ]
CAS No. : | 29964-62-3 |
MDL No. : | MFCD02093437 |
Formula : |
C28H28Cl2P2Pd
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | JQXJBXVWVPVTOO-UHFFFAOYSA-L |
M.W : |
603.80
|
Pubchem ID : | 10974057 |
Synonyms : |
|
Calculated chemistry of [ 29964-62-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
33 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.14 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
149.08 |
TPSA : |
27.18 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-4.17 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
8.19 |
Log Po/w (WLOGP) : |
7.41 |
Log Po/w (MLOGP) : |
7.47 |
Log Po/w (SILICOS-IT) : |
8.94 |
Consensus Log Po/w : |
6.4 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-8.69 |
Solubility : |
0.00000124 mg/ml ; 0.000000002 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-8.62 |
Solubility : |
0.00000145 mg/ml ; 0.0000000024 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-11.69 |
Solubility : |
0.0000000012 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
5.62 |