Compounds

3 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
102.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4858480

Name:
N-(6-(5-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C22H23FN4O2S

M.W.:
426.52

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4858343

Name:
2,2,2-trifluoro-N-(6-(4-fluoro-2-(piperidin-1-yl)p
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Mol. Formula:
C17H18F4N4O2S

M.W.:
418.42

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4877327

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C19H25FN4O2S

M.W.:
392.50

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4849479

Name:
N-(6-(2-fluoro-6-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C22H23FN4O2S

M.W.:
426.52

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4846635

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C19H25FN4O3S

M.W.:
408.50

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4866526

Name:
1-cyclopentyl-N-(6-(4-fluoro-2-(piperidin-1-yl)phe
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Mol. Formula:
C21H27FN4O2S

M.W.:
418.54

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4862539

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C18H23FN4O3S

M.W.:
394.47

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4854493

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
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Mol. Formula:
C21H27FN4O3S

M.W.:
434.54

14 activity values

3 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4853796

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
Show More⌵

Mol. Formula:
C22H23FN4O2S

M.W.:
426.52

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4869777

Name:
N-(6-(4-fluoro-2-(piperidin-1-yl)phenyl)pyridazin-
Show More⌵

Mol. Formula:
C21H27FN4O3S

M.W.:
434.54

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
84.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4099039

Name:
3-{5-Chloro-6-[(1R)-1-(5-methylpyridin-2-yl)ethoxy
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Mol. Formula:
C22H28ClN3O8

M.W.:
497.93

6 activity values

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
94.56

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4096688

Name:
2-amino-2-(hydroxymethyl)propane-1,3-diol 3-(5-chl
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Mol. Formula:
C17H23ClN2O8

M.W.:
418.83

12 activity values

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
81.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4095901

Name:
2-(6-chloro-1H-indazol-1-yl)acetic acid

Mol. Formula:
C9H7ClN2O2

M.W.:
210.62

1 activity values

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA4104310

Name:
3-[5-Chloro-2-oxo-6-(pyridin-2-ylmethoxy)-2,3-dihy
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Mol. Formula:
C16H13ClN2O5

M.W.:
348.74

2 activity values

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
94.56

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4103315

Name:
3-{5-Chloro-2-oxo-6-[1-(pyridin-2-yl)ethoxy]-2,3-d
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Mol. Formula:
C21H26ClN3O8

M.W.:
483.91

6 activity values

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
94.56

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4100868

Name:
3-{5-Chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-be
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Mol. Formula:
C21H26ClN3O7

M.W.:
467.91

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
85.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4100173

Name:
3-(6-chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)
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Cas Number:
351003-03-7

Mol. Formula:
C11H10ClNO4

M.W.:
255.66

1 activity values

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4099913

Name:
3-{5-Chloro-6-[(1R)-1-(5-fluoropyridin-2-yl)ethoxy
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Mol. Formula:
C17H14ClFN2O4

M.W.:
364.76

5 activity values

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
85.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4093950

Name:
3-(2-oxo-5-(trifluoromethyl)benzo[d]oxazol-3(2H)-y
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Cas Number:
893725-14-9

Mol. Formula:
C11H8F3NO4

M.W.:
275.18

1 activity values