Alternatived Products of [ 79276-23-6 ]
Product Details of [ 79276-23-6 ]
CAS No. : | 79276-23-6 |
MDL No. : | MFCD29050420 |
Formula : |
C15H25N3O6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | IPAOKKSXPSOZRL-VHSXEESVSA-N |
M.W : |
343.38
|
Pubchem ID : | 91757334 |
Synonyms : |
|
Calculated chemistry of [ 79276-23-6 ]
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.73 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
92.41 |
TPSA : |
116.25 Ų |
Pharmacokinetics
GI absorption : |
High |
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) : |
-7.81 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.26 |
Log Po/w (XLOGP3) : |
0.82 |
Log Po/w (WLOGP) : |
-0.72 |
Log Po/w (MLOGP) : |
-0.86 |
Log Po/w (SILICOS-IT) : |
-0.26 |
Consensus Log Po/w : |
-0.15 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-1.96 |
Solubility : |
3.79 mg/ml ; 0.011 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.84 |
Solubility : |
0.492 mg/ml ; 0.00143 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.01 |
Solubility : |
33.8 mg/ml ; 0.0984 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.68 |