Alternatived Products of [ 20227-41-2 ]
Product Details of [ 20227-41-2 ]
CAS No. : 20227-41-2
MDL No. : MFCD12911815
Formula :
C10 H12 FN5 O3
Boiling Point :
-
Linear Structure Formula : -
InChI Key : ZGYYPTJWJBEXBC-GQTRHBFLSA-N
M.W :
269.23
Pubchem ID : 11065470
Synonyms :
Calculated chemistry of [ 20227-41-2 ]
Physicochemical Properties
Num. heavy atoms :
19
Num. arom. heavy atoms :
9
Fraction Csp3 :
0.5
Num. rotatable bonds :
2
Num. H-bond acceptors :
7.0
Num. H-bond donors :
3.0
Molar Refractivity :
61.56
TPSA :
119.31 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-7.96 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.96
Log Po/w (XLOGP3) :
-0.02
Log Po/w (WLOGP) :
-0.9
Log Po/w (MLOGP) :
-0.98
Log Po/w (SILICOS-IT) :
-1.47
Consensus Log Po/w :
-0.48
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-1.72
Solubility :
5.19 mg/ml ; 0.0193 mol/l
Class :
Very soluble
Log S (Ali) :
-2.04
Solubility :
2.48 mg/ml ; 0.00921 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-0.45
Solubility :
96.6 mg/ml ; 0.359 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
0.0
Synthetic accessibility :
3.91