Compounds

Type:
---

AlogP:
4.62

Polar Surface Area:
60.25

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5208552

Name:
Methyl 1-(4-(4-(4-Ethoxyphenyl)-1H-1,2,3-triazol-1-yl)benzyl)azetidine-3-caShow More⌵

Mol. Formula:
C22H24N4O3

M.W.:
392.46

3 activity values

Type:
---

AlogP:
2.94

Polar Surface Area:
69.48

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5208384

Name:
Sodium 1-(4-(5-(4-Ethylphenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3-Show More⌵

Mol. Formula:
C22H23N2NaO3

M.W.:
386.43

Type:
---

AlogP:
3.63

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5205276

Name:
(4-(5-(4-(2-(fluoro-18F)ethoxy)-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-Show More⌵

Mol. Formula:
C18H14F4N2O3

M.W.:
381.32

2 activity values

Type:
---

AlogP:
4.26

Polar Surface Area:
68.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5204567

Name:
Methyl 1-(4-(4-(3-Chloro-4-isopropoxyphenyl)-1H-1,2,3-triazol-1-yl)benzyl)aShow More⌵

Mol. Formula:
C23H25ClN4O3

M.W.:
440.93

Type:
---

AlogP:
3.98

Polar Surface Area:
69.48

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5203930

Name:
Sodium 1-(4-(5-(Pyridin-2-yl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3-cShow More⌵

Mol. Formula:
C19H18N3NaO3

M.W.:
359.36

Type:
---

AlogP:
2.46

Polar Surface Area:
75.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5203643

Name:
Methyl 1-(4-(5-(Pyridin-2-yl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3-cShow More⌵

Mol. Formula:
C20H21N3O3

M.W.:
351.41

Type:
---

AlogP:
2.55

Polar Surface Area:
64.02

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5202986

Name:
(4-(4-(4-Propylphenyl)-1H-1,2,3-triazol-1-yl)benzyl)azetidine-3-carboxylic Show More⌵

Mol. Formula:
C22H24N4O2

M.W.:
376.46

Type:
---

AlogP:
3.40

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5202775

Name:
Methyl 1-(4-(1-(3-Chloro-4-isopropoxyphenyl)-1H-1,2,3-triazol-4-yl)benzyl)aShow More⌵

Mol. Formula:
C23H25ClN4O3

M.W.:
440.93

Type:
---

AlogP:
3.98

Polar Surface Area:
69.48

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5202350

Name:
Methyl 1-(4-(5-(3-Chloro-4-isopropoxyphenyl)-4,5-dihydroisoxazol-3-yl)benzyShow More⌵

Mol. Formula:
C25H29ClN2O4

M.W.:
456.97

Type:
---

AlogP:
4.99

Polar Surface Area:
60.36

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5201690

Name:
Sodium 1-(4-(5-(4-(tert-Butyl)phenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azetiShow More⌵

Mol. Formula:
C24H27N2NaO3

M.W.:
414.48

20 activity values

Type:
---

AlogP:
4.37

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5201535

Name:
1-(4-(5-(2-Bromophenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3-carboxyShow More⌵

Mol. Formula:
C20H19BrN2O3

M.W.:
415.29

3 activity values

Type:
---

AlogP:
3.83

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5201117

Name:
Sodium 1-(4-(4-(4-(tert-Butyl)phenyl)-1H-1,2,3-triazol-1-yl)benzyl)pyrrolidShow More⌵

Mol. Formula:
C24H27N4NaO2

M.W.:
426.50

Type:
---

AlogP:
4.14

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5200777

Name:
1-(4-(5-(4-(2-(fluoro-18F)ethoxy)-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazoShow More⌵

Mol. Formula:
C19H16F4N2O4

M.W.:
411.34

2 activity values

Type:
---

AlogP:
3.80

Polar Surface Area:
88.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5199664

Name:
Methyl 1-(4-(5-(3-Chloro-4-ethoxyphenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azShow More⌵

Mol. Formula:
C23H25ClN2O4

M.W.:
428.92

Type:
---

AlogP:
4.21

Polar Surface Area:
60.36

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5198753

Name:
Sodium 1-(4-(5-(3-Chloro-4-isopropoxyphenyl)-4,5-dihydroisoxazol-3-yl)benzyShow More⌵

Mol. Formula:
C24H26ClN2NaO4

M.W.:
464.93

Type:
---

AlogP:
4.90

Polar Surface Area:
71.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5198726

Name:
Methyl 1-(4-(5-(2-Bromophenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3-Show More⌵

Mol. Formula:
C21H21BrN2O3

M.W.:
429.31

3 activity values

Type:
---

AlogP:
3.92

Polar Surface Area:
51.13

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5197074

Name:
Methyl 1-(4-(5-(3-Chloro-4-isopropoxyphenyl)-4,5-dihydroisoxazol-3-yl)benzyShow More⌵

Mol. Formula:
C24H27ClN2O4

M.W.:
442.94

Type:
---

AlogP:
4.60

Polar Surface Area:
60.36

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5196884

Name:
Sodium 1-(4-(5-(4-Propylphenyl)-4,5-dihydroisoxazol-3-yl)benzyl)azetidine-3Show More⌵

Mol. Formula:
C23H25N2NaO3

M.W.:
400.45

Type:
---

AlogP:
4.02

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5194896

Name:
(4-(4-(4-Ethylphenyl)-1H-1,2,3-triazol-1-yl)benzyl)azetidine-3-carboxylic AShow More⌵

Mol. Formula:
C21H22N4O2

M.W.:
362.43