Alternatived Products of [ 871673-30-2 ]
Product Details of [ 871673-30-2 ]
CAS No. : | 871673-30-2 |
MDL No. : | MFCD07355844 |
Formula : |
C6H8N2OS
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ZRTVPUDCMVBHEL-UHFFFAOYSA-N |
M.W : |
156.21
|
Pubchem ID : | 7131313 |
Synonyms : |
|
Calculated chemistry of [ 871673-30-2 ]
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.33 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
41.68 |
TPSA : |
84.22 Ų |
Pharmacokinetics
GI absorption : |
High |
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) : |
-6.35 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.3 |
Log Po/w (XLOGP3) : |
1.27 |
Log Po/w (WLOGP) : |
1.24 |
Log Po/w (MLOGP) : |
-0.79 |
Log Po/w (SILICOS-IT) : |
2.07 |
Consensus Log Po/w : |
1.02 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.91 |
Solubility : |
1.91 mg/ml ; 0.0122 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.64 |
Solubility : |
0.36 mg/ml ; 0.0023 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.64 |
Solubility : |
3.55 mg/ml ; 0.0227 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.32 |
Safety of [ 871673-30-2 ]