Alternatived Products of [ 649749-10-0 ]
Product Details of [ 649749-10-0 ]
CAS No. : | 649749-10-0 |
MDL No. : | MFCD25976790 |
Formula : |
C10H28MoN2O2S4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | FSWNJZRQQVVVJT-UHFFFAOYSA-L |
M.W : |
432.54
|
Pubchem ID : | 18442052 |
Synonyms : |
Bis(choline)tetrathiomolybdate;Bis-Choline Tetrathiomolybdate;ALXN1840;Decuprate;Bis-choline tetrathiomolybdate
|
Calculated chemistry of [ 649749-10-0 ]
Physicochemical Properties
Num. heavy atoms : |
19 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
89.28 |
TPSA : |
104.64 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.14 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.53 |
Log Po/w (WLOGP) : |
0.66 |
Log Po/w (MLOGP) : |
-7.44 |
Log Po/w (SILICOS-IT) : |
-0.57 |
Consensus Log Po/w : |
-0.96 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.85 |
Solubility : |
0.0609 mg/ml ; 0.000141 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.37 |
Solubility : |
0.0183 mg/ml ; 0.0000423 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-1.26 |
Solubility : |
23.8 mg/ml ; 0.0551 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.93 |
Safety of [ 649749-10-0 ]