Compounds

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
47.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4649467

Name:
4-(Piperazin-1-yl)-2-(pyridin-4-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-Show More⌵

Mol. Formula:
C20H22N4S

M.W.:
350.49

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4649466

Name:
2-[6-[(3S)-pyrrolidin-3-yl]oxy-4-isoquinolyl]-1,3-benzoxazole

Mol. Formula:
C20H17N3O2

M.W.:
331.38

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4648633

Name:
(S)-2-(6-(Pyrrolidin-3-yloxy)isoquinolin-4-yl)thiazole

Mol. Formula:
C16H15N3OS

M.W.:
297.38

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
47.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4648499

Name:
1-(2-(Pyridin-4-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C20H22N4OS

M.W.:
366.49

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
62.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4648006

Name:
2-(5-(Piperidin-3-ylamino)isoquinolin-7-yl)phenol

Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
57.18

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4647780

Name:
(S)-7-(6-Amino-4-fluoropyridin-3-yl)-N-(azepan-3-yl)isoquinolin-5-amine

Mol. Formula:
C20H22FN5

M.W.:
351.43

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
75.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4647507

Name:
1-(2-(Pyridin-4-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C20H23N5S

M.W.:
365.51

2 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
67.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4646995

Name:
7-(4-Aminophenyl)-N-(piperidin-3-yl)isoquinolin-5-amine

Mol. Formula:
C20H22N4

M.W.:
318.42

9 activity values

4 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
62.97

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4646074

Name:
4-(6-(Piperidin-4-yloxy)isoquinolin-4-yl)aniline

Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
60.17

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4645728

Name:
(S)-4-(6-(Pyrrolidin-3-yloxy)isoquinolin-4-yl)aniline

Mol. Formula:
C19H19N3O

M.W.:
305.38

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
60.17

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4645321

Name:
N-Methyl-1-(2-(pyridin-4-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimShow More⌵

Mol. Formula:
C21H25N5S

M.W.:
379.53

2 activity values

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
53.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4645229

Name:
7-(2-Aminophenyl)-N-(piperidin-3-yl)isoquinolin-5-amine

Mol. Formula:
C20H22N4

M.W.:
318.42

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
62.97

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4645167

Name:
6-[(3S)-pyrrolidin-3-yl]oxyisoquinoline

Mol. Formula:
C13H14N2O

M.W.:
214.27

2 activity values

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
34.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA4644939

Name:
4-(5-(Piperidin-3-ylamino)isoquinolin-7-yl)phenol

Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
57.18

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4644798

Name:
2-[6-[(3S)-pyrrolidin-3-yl]oxy-4-isoquinolyl]-1,3-benzothiazole

Mol. Formula:
C20H17N3OS

M.W.:
347.44

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
47.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4644763

Name:
6-[(3S)-pyrrolidin-3-yl]oxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinoline

Mol. Formula:
C20H18N4O

M.W.:
330.39

9 activity values

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
62.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4644160

Name:
(R)-4-(6-(Pyrrolidin-3-ylmethoxy)isoquinolin-4-yl)aniline

Mol. Formula:
C20H21N3O

M.W.:
319.41

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
60.17

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4643553

Name:
(S)-7-(6-Amino-2-fluoropyridin-3-yl)-N-(azepan-3-yl)isoquinolin-5-amine

Mol. Formula:
C20H22FN5

M.W.:
351.43

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
75.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4643470

Name:
N1-(7-(4-Aminophenyl)isoquinolin-5-yl)ethane-1,2-diamine

Mol. Formula:
C17H17N3

M.W.:
263.34