Alternatived Products of [ 61043-86-5 ]
Product Details of [ 61043-86-5 ]
CAS No. : | 61043-86-5 |
MDL No. : | MFCD00057848 |
Formula : |
C7H14N2O5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GXDLGHLJTHMDII-WISUUJSJSA-N |
M.W : |
206.20
|
Pubchem ID : | 7016065 |
Synonyms : |
|
Calculated chemistry of [ 61043-86-5 ]
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.71 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
45.57 |
TPSA : |
132.88 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) : |
-11.05 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.36 |
Log Po/w (XLOGP3) : |
-4.92 |
Log Po/w (WLOGP) : |
-2.74 |
Log Po/w (MLOGP) : |
-2.25 |
Log Po/w (SILICOS-IT) : |
-1.99 |
Consensus Log Po/w : |
-2.31 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
2.38 |
Solubility : |
49100.0 mg/ml ; 238.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
2.76 |
Solubility : |
120000.0 mg/ml ; 581.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
1.31 |
Solubility : |
4210.0 mg/ml ; 20.4 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.62 |