Alternatived Products of [ 284673-76-3 ]
Product Details of [ 284673-76-3 ]
CAS No. : | 284673-76-3 |
MDL No. : | MFCD00107054 |
Formula : |
C11H13N5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DSSCXCDTPABWJX-UHFFFAOYSA-N |
M.W : |
215.25
|
Pubchem ID : | 2725571 |
Synonyms : |
|
Calculated chemistry of [ 284673-76-3 ]
Physicochemical Properties
Num. heavy atoms : |
16 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.18 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
62.99 |
TPSA : |
76.72 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-6.9 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.45 |
Log Po/w (XLOGP3) : |
1.0 |
Log Po/w (WLOGP) : |
1.04 |
Log Po/w (MLOGP) : |
0.4 |
Log Po/w (SILICOS-IT) : |
1.21 |
Consensus Log Po/w : |
1.02 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.16 |
Solubility : |
1.48 mg/ml ; 0.00689 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.2 |
Solubility : |
1.36 mg/ml ; 0.00631 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-4.29 |
Solubility : |
0.0111 mg/ml ; 0.0000514 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.16 |
Safety of [ 284673-76-3 ]