Alternatived Products of [ 1029769-35-4 ]
Product Details of [ 1029769-35-4 ]
CAS No. : | 1029769-35-4 |
MDL No. : | N/A |
Formula : |
C10H10N4O
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OKMVPNHKSBPBEQ-UHFFFAOYSA-N |
M.W : | 202.21 |
Pubchem ID : | 29459021 |
Synonyms : |
|
Calculated chemistry of [ 1029769-35-4 ]
Physicochemical Properties
Num. heavy atoms : |
15 |
Num. arom. heavy atoms : |
11 |
Fraction Csp3 : |
0.1 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
55.67 |
TPSA : |
59.81 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.35 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.35 |
Log Po/w (XLOGP3) : |
0.26 |
Log Po/w (WLOGP) : |
1.03 |
Log Po/w (MLOGP) : |
0.47 |
Log Po/w (SILICOS-IT) : |
0.51 |
Consensus Log Po/w : |
0.73 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.6 |
Solubility : |
5.05 mg/ml ; 0.025 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.08 |
Solubility : |
16.9 mg/ml ; 0.0838 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-2.95 |
Solubility : |
0.228 mg/ml ; 0.00113 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.79 |
Safety of [ 1029769-35-4 ]