Alternatived Products of [ 19999-87-2 ]
Product Details of [ 19999-87-2 ]
CAS No. : | 19999-87-2 |
MDL No. : | MFCD11973802 |
Formula : |
C36H66Cl2NiP2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | YOCBOYPGZVFUCQ-UHFFFAOYSA-L |
M.W : |
690.46
|
Pubchem ID : | 11039739 |
Synonyms : |
|
Calculated chemistry of [ 19999-87-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
41 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
192.26 |
TPSA : |
27.18 ?2 |
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) : |
-1.76 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
12.33 |
Log Po/w (WLOGP) : |
14.31 |
Log Po/w (MLOGP) : |
9.6 |
Log Po/w (SILICOS-IT) : |
5.8 |
Consensus Log Po/w : |
8.41 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-11.49 |
Solubility : |
0.0000000022 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-12.92 |
Solubility : |
0.0000000001 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-4.3 |
Solubility : |
0.0348 mg/ml ; 0.0000505 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.58 |
Safety of [ 19999-87-2 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280 |
UN#: | N/A |
Hazard Statements: | H302-H317-H351-H361 |
Packing Group: | N/A |
GHS Pictogram: |
|