Alternatived Products of [ 37247-10-2 ]
Product Details of [ 37247-10-2 ]
CAS No. : | 37247-10-2 |
MDL No. : | MFCD00080716 |
Formula : |
C31H34Cl2N6S2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | YOWZJZJLXUQHGF-UHFFFAOYSA-M |
M.W : |
625.68
|
Pubchem ID : | 16218618 |
Synonyms : |
|
Calculated chemistry of [ 37247-10-2 ]
Physicochemical Properties
Num. heavy atoms : |
41 |
Num. arom. heavy atoms : |
28 |
Fraction Csp3 : |
0.23 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
186.7 |
TPSA : |
104.01 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.12 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
7.04 |
Log Po/w (WLOGP) : |
1.52 |
Log Po/w (MLOGP) : |
5.22 |
Log Po/w (SILICOS-IT) : |
1.9 |
Consensus Log Po/w : |
3.14 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-8.4 |
Solubility : |
0.00000252 mg/ml ; 0.000000004 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-9.04 |
Solubility : |
0.00000057 mg/ml ; 0.0000000009 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-5.28 |
Solubility : |
0.00325 mg/ml ; 0.0000052 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.0 |