Compounds

ALA3814434

Name:
N-(4-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)pheny
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Mol. Formula:
C17H16N4O2

M.W.:
308.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
83.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3614045

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(2-meth
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Mol. Formula:
C14H11N7OS

M.W.:
325.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
94.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614044

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(3-meth
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Mol. Formula:
C14H11N7OS

M.W.:
325.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
94.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614043

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(4-meth
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Mol. Formula:
C14H11N7OS

M.W.:
325.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
94.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614042

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(o-toly
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Mol. Formula:
C14H11N7S

M.W.:
309.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3614041

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(m-toly
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Mol. Formula:
C14H11N7S

M.W.:
309.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3614040

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(2-nitr
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Mol. Formula:
C13H8N8O2S

M.W.:
340.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
128.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3614039

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(3-nitr
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Mol. Formula:
C13H8N8O2S

M.W.:
340.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
128.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3614038

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(4-nitr
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Mol. Formula:
C13H8N8O2S

M.W.:
340.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
128.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3614037

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(2-fluo
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Mol. Formula:
C13H8FN7S

M.W.:
313.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3614036

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(3-fluo
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Mol. Formula:
C13H8FN7S

M.W.:
313.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3614034

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(2-chlo
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Mol. Formula:
C13H8ClN7S

M.W.:
329.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614033

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(4-chlo
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Mol. Formula:
C13H8ClN7S

M.W.:
329.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614032

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(3-chlo
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Mol. Formula:
C13H8ClN7S

M.W.:
329.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3614031

Name:
2-(4-(1H-Tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(p-toly
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Mol. Formula:
C14H11N7S

M.W.:
309.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2313234

Name:
4-((1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,
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Mol. Formula:
C21H20ClN5O

M.W.:
393.88

23 activity values

19 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1683806

Name:
N'-(1-(3,3-dimethyl-2-oxoindolin-5-yl)ethylidene)-
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Mol. Formula:
C19H21N3O3S

M.W.:
371.46

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
87.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA131672

Name:
5-{2-Fluoro-4-[2-(2-fluoro-benzyl)-3-oxo-cyclohex-
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Mol. Formula:
C24H23F2N3O2

M.W.:
423.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
70.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA131111

Name:
6-{4-[2-(2-Methoxy-benzyl)-3-oxo-cyclohex-1-enylam
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Mol. Formula:
C25H27N3O3

M.W.:
417.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
79.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA338381

Name:
5-Methyl-6-{4-[3-oxo-2-(2-trifluoromethyl-benzyl)-
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Mol. Formula:
C25H24F3N3O2

M.W.:
455.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
70.56

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS