Compounds

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
88.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4744292

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C24H23F3N2O5

M.W.:
476.45

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
78.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4743798

Name:
trans-4-amino-N-(2-(2-(6-methoxyquinolin-4-yl)ethy
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Mol. Formula:
C23H31N3O4

M.W.:
413.52

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
95.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4764849

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C22H23N3O4

M.W.:
393.44

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
82.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4764420

Name:
4-methoxy-N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-t
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Mol. Formula:
C24H26N2O5

M.W.:
422.48

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
78.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4763582

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C24H32N2O4

M.W.:
412.53

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4759717

Name:
trans-4-hydroxy-N-(2-(2-(6-methoxyquinolin-4-yl)et
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Mol. Formula:
C23H30N2O5

M.W.:
414.50

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
89.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4759626

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C25H25N3O5S

M.W.:
479.56

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
98.78

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4759488

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C24H23F3N2O4

M.W.:
460.45

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4758867

Name:
trans-N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans
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Mol. Formula:
C24H32N2O4

M.W.:
412.53

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4756699

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C24H26N2O4

M.W.:
406.48

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4756100

Name:
3,4-dichloro-N-((2r,5r)-2-(2-(6-methoxyquinolin-4-
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Mol. Formula:
C23H22Cl2N2O4

M.W.:
461.35

8 activity values

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4755744

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C25H25N3O6

M.W.:
463.49

9 activity values

6 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
108.01

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4779883

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C26H28N2O5

M.W.:
448.52

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
78.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4779236

Name:
2-chloro-N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-tr
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Mol. Formula:
C23H23ClN2O4

M.W.:
426.90

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4777754

Name:
4-cyano-N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-tra
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Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
93.47

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4781609

Name:
4-chloro-N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-tr
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Mol. Formula:
C23H23ClN2O4

M.W.:
426.90

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
69.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4752757

Name:
N-(2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-d
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Mol. Formula:
C22H29N3O4

M.W.:
399.49