Alternatived Products of [ 260354-29-8 ]
Product Details of [ 260354-29-8 ]
CAS No. : | 260354-29-8 |
MDL No. : | N/A |
Formula : |
C24H27Cl3N12
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | FRNCVYHCFVSVMM-UHFFFAOYSA-N |
M.W : |
589.91
|
Pubchem ID : | 139270000 |
Synonyms : |
|
Calculated chemistry of [ 260354-29-8 ]
Physicochemical Properties
Num. heavy atoms : |
39 |
Num. arom. heavy atoms : |
28 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
8.0 |
Molar Refractivity : |
170.22 |
TPSA : |
259.72 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) : |
-8.32 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.22 |
Log Po/w (WLOGP) : |
4.69 |
Log Po/w (MLOGP) : |
0.49 |
Log Po/w (SILICOS-IT) : |
-0.01 |
Consensus Log Po/w : |
1.48 |
Druglikeness
Lipinski : |
3.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-5.43 |
Solubility : |
0.00221 mg/ml ; 0.00000374 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-7.31 |
Solubility : |
0.000029 mg/ml ; 0.0000000491 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-3.58 |
Solubility : |
0.157 mg/ml ; 0.000266 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.18 |
Safety of [ 260354-29-8 ]