Alternatived Products of [ 6299-16-7 ]
Product Details of [ 6299-16-7 ]
CAS No. : | 6299-16-7 |
MDL No. : | MFCD28147704 |
Formula : |
C24H17N
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DQMMBEPJQZXXGK-UHFFFAOYSA-N |
M.W : |
319.40
|
Pubchem ID : | 412897 |
Synonyms : |
|
Calculated chemistry of [ 6299-16-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
25 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
106.22 |
TPSA : |
4.93 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-2.94 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.59 |
Log Po/w (XLOGP3) : |
7.47 |
Log Po/w (WLOGP) : |
6.45 |
Log Po/w (MLOGP) : |
5.51 |
Log Po/w (SILICOS-IT) : |
5.61 |
Consensus Log Po/w : |
5.73 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.13 |
Solubility : |
0.0000234 mg/ml ; 0.0000000734 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.41 |
Solubility : |
0.0000125 mg/ml ; 0.0000000392 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-9.15 |
Solubility : |
0.000000228 mg/ml ; 0.0000000007 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.97 |