Alternatived Products of [ 15227-42-6 ]
Product Details of [ 15227-42-6 ]
CAS No. : | 15227-42-6 |
MDL No. : | MFCD00058858 |
Formula : |
C10H10Cl2N2Pt
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | FCJXCLMZOWAKNQ-UHFFFAOYSA-L |
M.W : |
424.18
|
Pubchem ID : | 498600 |
Synonyms : |
|
Calculated chemistry of [ 15227-42-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
15 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
60.18 |
TPSA : |
9.86 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.23 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
3.74 |
Log Po/w (WLOGP) : |
-3.83 |
Log Po/w (MLOGP) : |
1.49 |
Log Po/w (SILICOS-IT) : |
2.1 |
Consensus Log Po/w : |
0.7 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.29 |
Solubility : |
0.00219 mg/ml ; 0.00000517 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-3.64 |
Solubility : |
0.0973 mg/ml ; 0.000229 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-3.13 |
Solubility : |
0.313 mg/ml ; 0.000738 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.89 |