Alternatived Products of [ 492-08-0 ]
Product Details of [ 492-08-0 ]
CAS No. : | 492-08-0 |
MDL No. : | MFCD00869353 |
Formula : |
C15H26N2
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | SLRCCWJSBJZJBV-TUVASFSCSA-N |
M.W : |
234.38
|
Pubchem ID : | 7014 |
Synonyms : |
|
Chemical Name : | (7R,7aR,14R,14aS)-Dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine |
Calculated chemistry of [ 492-08-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
79.38 |
TPSA : |
6.48 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.93 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.08 |
Log Po/w (XLOGP3) : |
2.54 |
Log Po/w (WLOGP) : |
1.58 |
Log Po/w (MLOGP) : |
2.88 |
Log Po/w (SILICOS-IT) : |
1.69 |
Consensus Log Po/w : |
2.36 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.89 |
Solubility : |
0.3 mg/ml ; 0.00128 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.32 |
Solubility : |
1.11 mg/ml ; 0.00475 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.79 |
Solubility : |
3.76 mg/ml ; 0.016 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.29 |