Alternatived Products of [ 368443-82-7 ]
Product Details of [ 368443-82-7 ]
CAS No. : 368443-82-7
MDL No. : MFCD09842078
Formula :
C20 H19 NO6
Boiling Point :
-
Linear Structure Formula : -
InChI Key : UEUZUMRMWJUEMK-QGZVFWFLSA-N
M.W :
369.37
Pubchem ID : 10981477
Synonyms :
Calculated chemistry of [ 368443-82-7 ]
Physicochemical Properties
Num. heavy atoms :
27
Num. arom. heavy atoms :
12
Fraction Csp3 :
0.25
Num. rotatable bonds :
9
Num. H-bond acceptors :
6.0
Num. H-bond donors :
2.0
Molar Refractivity :
96.07
TPSA :
101.93 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.77 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.68
Log Po/w (XLOGP3) :
2.51
Log Po/w (WLOGP) :
2.54
Log Po/w (MLOGP) :
1.9
Log Po/w (SILICOS-IT) :
2.43
Consensus Log Po/w :
2.41
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-3.45
Solubility :
0.132 mg/ml ; 0.000358 mol/l
Class :
Soluble
Log S (Ali) :
-4.3
Solubility :
0.0187 mg/ml ; 0.0000505 mol/l
Class :
Moderately soluble
Log S (SILICOS-IT) :
-4.95
Solubility :
0.00413 mg/ml ; 0.0000112 mol/l
Class :
Moderately soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
3.72
Safety of [ 368443-82-7 ]