Compounds

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
59.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4550517

Name:
7-(2-fluoro-4-methoxyphenyl)-2-(((2-methylpyridin-
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Mol. Formula:
C21H18FN5O3

M.W.:
407.41

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
104.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4550009

Name:
7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-p
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Mol. Formula:
C20H12F5N5O2

M.W.:
449.34

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
95.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4549344

Name:
7-(2-fluoro-4-methoxyphenyl)-2-(((6-(trifluorometh
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Mol. Formula:
C21H15F4N5O3

M.W.:
461.38

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
104.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4752318

Name:
3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-
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Mol. Formula:
C30H30O4

M.W.:
454.57

2 activity values

Type:
Unknown

AlogP:
6.79

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4557272

Name:
7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxym
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Mol. Formula:
C20H15FN4O2S

M.W.:
394.43

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
90.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4779278

Name:
3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-
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Mol. Formula:
C30H30O5

M.W.:
470.57

2 activity values

Type:
Unknown

AlogP:
6.50

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4533083

Name:
2-(((2-bromopyridin-4-yl)oxy)methyl)-7-(4-fluoroph
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Mol. Formula:
C19H13BrFN5O2

M.W.:
442.25

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
95.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4527834

Name:
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(
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Mol. Formula:
C21H22FN3O2S

M.W.:
399.49

25 activity values

9 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
68.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4514334

Name:
7-(4-fluorophenyl)-2-(1-piperidylmethyl)thieno[3,2
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Mol. Formula:
C20H20FN3OS

M.W.:
369.47

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
59.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4513332

Name:
7-(4-methoxyphenyl)-2-(morpholinomethyl)thieno[3,2
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Mol. Formula:
C20H21N3O3S

M.W.:
383.47

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
77.68

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4476138

Name:
7-(4-fluorophenyl)-2-[[2-(trifluoromethyl)-4-pyrid
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Mol. Formula:
C21H13F4N3O2S

M.W.:
447.41

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
78.10

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4475753

Name:
7-(4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxy
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Mol. Formula:
C21H18N4O3S

M.W.:
406.47

11 activity values

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
100.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4541942

Name:
7-(4-fluorophenyl)-2-[(6-methyl-3-pyridyl)oxymethy
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Mol. Formula:
C21H16FN3O2S

M.W.:
393.44

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
78.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4520084

Name:
7-(4-fluorophenyl)-2-(morpholinomethyl)thieno[3,2-
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Mol. Formula:
C19H18FN3O2S

M.W.:
371.44

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
68.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4586203

Name:
7-(4-fluorophenyl)-2-(2-(pyridine-4-yl)ethyl)pyraz
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Mol. Formula:
C20H16FN5O

M.W.:
361.38

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
86.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4585786

Name:
7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymet
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Mol. Formula:
C19H15FN4O2S

M.W.:
382.42

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
83.03

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4584801

Name:
7-(4-fluorophenyl)-2-[2-(3-pyridyl)ethyl]pyrazolo[
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Mol. Formula:
C20H16FN5O

M.W.:
361.38

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
86.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4580695

Name:
2-[(2-methylpyrimidin-5-yl)oxymethyl]-7-[4-(trideu
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Mol. Formula:
C21H18N4O3S

M.W.:
409.49

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
100.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4579281

Name:
2-[(2,6-dimethyl-3-pyridyl)oxymethyl]-7-(4-fluorop
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Mol. Formula:
C22H18FN3O2S

M.W.:
407.47

5 activity values