Compounds

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4878955

Name:
(E)-3-(3-(1H-indol-6-yl)pyridin-4-yl)-1-morpholino
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

10 activity values

9 unique targets

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4878356

Name:
7-(5-(1-methyl-1H-indazol-5-yl)-1H-pyrrolo[2,3-b]p
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Mol. Formula:
C22H22N6O

M.W.:
386.46

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
78.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4878338

Name:
8-(3-Chloro-5-(5-(morpholinomethyl)thiophen-2-yl)p
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Mol. Formula:
C22H27ClN4O2S

M.W.:
447.00

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
57.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4878175

Name:
8-(3-Chloro-5-(5-chlorothiophen-2-yl)pyridin-4-yl)
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Mol. Formula:
C17H17Cl2N3OS

M.W.:
382.32

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4878137

Name:
(E)-3-(3-(4-fluorophenyl)pyridin-4-yl)-1-(4-methyl
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Mol. Formula:
C19H20FN3O

M.W.:
325.39

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4878007

Name:
8-(2-Amino-5-(benzofuran-2-yl)-3-chloropyridin-4-y
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Mol. Formula:
C21H21ClN4O2

M.W.:
396.88

73 activity values

23 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
84.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4877883

Name:
8-(3-chloro-5-(1-methyl-1H-indazol-5-yl)-1H-pyrazo
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Mol. Formula:
C22H22ClN7O

M.W.:
435.92

14 activity values

6 unique targets

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
91.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4876841

Name:
(E)-3-(3-(4-fluorophenyl)pyridin-4-yl)-1-(3-methox
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Mol. Formula:
C18H17FN2O2

M.W.:
312.34

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4876828

Name:
8-(3-Chloro-5-(1-methyl-1H-pyrazol-4-yl)pyridin-4-
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Mol. Formula:
C17H20ClN5O

M.W.:
345.83

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4876642

Name:
8-(3-Chloro-5-(thiophen-2-yl)pyridin-4-yl)-2,8-dia
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Mol. Formula:
C17H18ClN3OS

M.W.:
347.87

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4876474

Name:
3-(5-Chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl
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Mol. Formula:
C18H18ClN3O2S

M.W.:
375.88

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
62.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4876259

Name:
N-methyl-3-(3-(naphthalen-2-yl)pyridin-4-yl)propan
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Mol. Formula:
C19H18N2O

M.W.:
290.37

8 activity values

7 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4876035

Name:
(E)-N-cyclopropyl-3-(3-(naphthalen-2-yl)pyridin-4-
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Mol. Formula:
C21H18N2O

M.W.:
314.39

9 activity values

8 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4875730

Name:
(E)-methyl 3-(3-(naphthalen-2-yl)pyridin-4-yl)acry
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Mol. Formula:
C19H15NO2

M.W.:
289.33

16 activity values

8 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
39.19

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4875206

Name:
(E)-1-morpholino-3-(3-(quinolin-7-yl)pyridin-4-yl)
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Mol. Formula:
C21H19N3O2

M.W.:
345.40

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
55.32

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4874881

Name:
4-(5-Chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl
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Mol. Formula:
C18H18ClN3O2S

M.W.:
375.88

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
62.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4874551

Name:
(E)-3-(3-(1H-indol-5-yl)pyridin-4-yl)-N-methylacry
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Mol. Formula:
C17H15N3O

M.W.:
277.33

9 activity values

8 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA4874386

Name:
(E)-3-(3-(3-(naphthalen-2-yl)pyridin-4-yl)acrylami
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Mol. Formula:
C21H18N2O3

M.W.:
346.39