Alternatived Products of [ 75607-67-9 ]
Product Details of [ 75607-67-9 ]
CAS No. : | 75607-67-9 |
MDL No. : | MFCD00866418 |
Formula : |
C10H13FN5O7P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GIUYCYHIANZCFB-FJFJXFQQSA-N |
M.W : |
365.21
|
Pubchem ID : | 30751 |
Synonyms : |
NSC 118218 phosphate;F-ara-AMP;NSC 328002;NSC 312887;F-ara-A Phosphate
|
Chemical Name : | ((2R,3S,4S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate |
Calculated chemistry of [ 75607-67-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
11.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
73.54 |
TPSA : |
195.88 ?2 |
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) : |
-10.27 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.12 |
Log Po/w (XLOGP3) : |
-2.45 |
Log Po/w (WLOGP) : |
-1.62 |
Log Po/w (MLOGP) : |
-2.65 |
Log Po/w (SILICOS-IT) : |
-3.08 |
Consensus Log Po/w : |
-1.94 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.11 |
Water Solubility
Log S (ESOL) : |
-0.57 |
Solubility : |
97.3 mg/ml ; 0.266 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.12 |
Solubility : |
27.6 mg/ml ; 0.0755 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
1.0 |
Solubility : |
3640.0 mg/ml ; 9.95 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.43 |