Alternatived Products of [ 874948-59-1 ]
Product Details of [ 874948-59-1 ]
CAS No. : | 874948-59-1 |
MDL No. : | MFCD17676194 |
Formula : |
C32H21O4P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | RLPAIZCRXBEKDM-UHFFFAOYSA-N |
M.W : |
500.48
|
Pubchem ID : | 12151052 |
Synonyms : |
|
Calculated chemistry of [ 874948-59-1 ]
Physicochemical Properties
Num. heavy atoms : |
37 |
Num. arom. heavy atoms : |
32 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
148.84 |
TPSA : |
65.57 Ų |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-3.62 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.5 |
Log Po/w (XLOGP3) : |
8.07 |
Log Po/w (WLOGP) : |
8.87 |
Log Po/w (MLOGP) : |
5.49 |
Log Po/w (SILICOS-IT) : |
7.24 |
Consensus Log Po/w : |
6.63 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-8.54 |
Solubility : |
0.00000146 mg/ml ; 0.0000000029 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-9.3 |
Solubility : |
0.000000249 mg/ml ; 0.0000000005 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-12.04 |
Solubility : |
0.0000000005 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.35 |
Safety of [ 874948-59-1 ]