Compounds

ALA5206330

Name:
tert-butyl 2-((3S)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(4-(pyridin-4-yl)pShow More⌵

Mol. Formula:
C29H32N2O5

M.W.:
488.58

2 activity values

2 unique targets

Type:
---

AlogP:
5.33

Polar Surface Area:
81.12

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4879231

Name:
1-(tert-butyl)-3-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)Show More⌵

Mol. Formula:
C22H28N4O4

M.W.:
412.49

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
95.95

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4878349

Name:
Tert-butyl ((3R)-1-((4-cyano-2-methoxyphenyl)(6-hydroxybenzo[d][1,3]dioxol-Show More⌵

Mol. Formula:
C25H29N3O6

M.W.:
467.52

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
113.28

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4878332

Name:
Tert-butyl ((3R)-1-((6-hydroxy-2,3-dihydro-1H-inden-5-yl)(pyridin-4-yl)methShow More⌵

Mol. Formula:
C24H31N3O3

M.W.:
409.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
74.69

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4878213

Name:
N-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidShow More⌵

Mol. Formula:
C19H21N3O4

M.W.:
355.39

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4878151

Name:
N-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidShow More⌵

Mol. Formula:
C25H25N3O5

M.W.:
447.49

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4878136

Name:
Methyl 4-(((R)-3-((tert-butoxycarbonyl)amino)pyrrolidine-1-yl)(6-hydroxybenShow More⌵

Mol. Formula:
C25H30N2O7

M.W.:
470.52

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
106.56

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4877018

Name:
(3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidineShow More⌵

Mol. Formula:
C21H22N2O5

M.W.:
382.42

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
81.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4876010

Name:
2-Ethoxy-N-((3R)-1((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)Show More⌵

Mol. Formula:
C26H27N3O5

M.W.:
461.52

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4875975

Name:
N-((3S)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidShow More⌵

Mol. Formula:
C21H23N3O4

M.W.:
381.43

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4875126

Name:
N-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidShow More⌵

Mol. Formula:
C20H23N3O5S

M.W.:
417.49

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
100.99

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4875100

Name:
Tert-butyl ((3R)-1-((5-cyanopyridin-2-yl)(6-hydroxybenzo[d][1,3]dioxol-5-ylShow More⌵

Mol. Formula:
C23H26N4O5

M.W.:
438.48

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
116.94

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4872335

Name:
Tert-butyl ((3R)-1-((2,2-difluoro-6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridiShow More⌵

Mol. Formula:
C22H25F2N3O5

M.W.:
449.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4872082

Name:
Tert-butyl ((3R)-1-((2-hydroxy-4-isopropylphenyl)(pyridin-4-yl)methyl)pyrroShow More⌵

Mol. Formula:
C24H33N3O3

M.W.:
411.55

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
74.69

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4871665

Name:
Tert-butyl ((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(3-(pyridin-2-AphenyShow More⌵

Mol. Formula:
C28H31N3O5

M.W.:
489.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4870942

Name:
Tert-butyl ((3R)-1-((4-cyano-3-fluorophenyl)(6-hydroxybenzo[d][1,3]dioxol-5Show More⌵

Mol. Formula:
C24H26FN3O5

M.W.:
455.49

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
104.05

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4870370

Name:
Tert-butyl ((3R)-1-([3,4'-bipyridin]-6-yl(6-hydroxybenzo[d][1,3]dioxol-5-ylShow More⌵

Mol. Formula:
C27H30N4O5

M.W.:
490.56

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
106.04

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4870256

Name:
Tert-butyl ((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(4-(pyridin-2-yl)pheShow More⌵

Mol. Formula:
C28H31N3O5

M.W.:
489.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4869955

Name:
2-Chloro-N-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methylShow More⌵

Mol. Formula:
C24H22ClN3O4

M.W.:
451.91

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4869367

Name:
N-((3R)-1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(pyridin-4-yl)methyl)pyrrolidShow More⌵

Mol. Formula:
C24H29N3O4

M.W.:
423.51

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS