Alternatived Products of [ 153851-71-9 ]
Product Details of [ 153851-71-9 ]
CAS No. : | 153851-71-9 |
MDL No. : | MFCD08062366 |
Formula : |
C5H8ClN3S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | HPBXUFOSZBCEIQ-UHFFFAOYSA-N |
M.W : |
177.66
|
Pubchem ID : | 10464869 |
Synonyms : |
|
Calculated chemistry of [ 153851-71-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.6 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
1.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
43.56 |
TPSA : |
60.5 ?2 |
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) : |
-6.31 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-3.25 |
Log Po/w (XLOGP3) : |
1.51 |
Log Po/w (WLOGP) : |
-3.51 |
Log Po/w (MLOGP) : |
0.66 |
Log Po/w (SILICOS-IT) : |
-0.23 |
Consensus Log Po/w : |
-0.97 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.26 |
Solubility : |
0.97 mg/ml ; 0.00546 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.39 |
Solubility : |
0.726 mg/ml ; 0.00409 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
0.1 |
Solubility : |
224.0 mg/ml ; 1.26 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.64 |
Safety of [ 153851-71-9 ]
Categories