Alternatived Products of [ 143688-83-9 ]
Product Details of [ 143688-83-9 ]
CAS No. : | 143688-83-9 |
MDL No. : | MFCD00080291 |
Formula : |
C21H23NO4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | QXVFEIPAZSXRGM-BFUOFWGJSA-N |
M.W : |
353.41
|
Pubchem ID : | 6992515 |
Synonyms : |
|
Chemical Name : | (2R,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acid |
Calculated chemistry of [ 143688-83-9 ]
Physicochemical Properties
Num. heavy atoms : |
26 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.33 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
99.59 |
TPSA : |
75.63 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.35 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.81 |
Log Po/w (XLOGP3) : |
4.38 |
Log Po/w (WLOGP) : |
4.02 |
Log Po/w (MLOGP) : |
3.0 |
Log Po/w (SILICOS-IT) : |
3.55 |
Consensus Log Po/w : |
3.55 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-4.6 |
Solubility : |
0.00879 mg/ml ; 0.0000249 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-5.68 |
Solubility : |
0.000731 mg/ml ; 0.00000207 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.71 |
Solubility : |
0.000689 mg/ml ; 0.00000195 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
4.05 |
Safety of [ 143688-83-9 ]