Compounds

ALA5198832

Name:
3-(4-(3-amino-3-(hydroxymethyl)pyrrolidin-1-yl)-5-(4-fluoro-1H-benzo[d]imidShow More⌵

Mol. Formula:
C24H21FN6O

M.W.:
428.47

2 activity values

1 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
114.85

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5197482

Name:
(Rac)-Cis-3-(4-((3R,4S)-3-amino-4-methoxypyrrolidin-1-yl)-5-(4-fluoro-1H-beShow More⌵

Mol. Formula:
C24H21FN6O

M.W.:
428.47

2 activity values

1 unique targets

Type:
---

AlogP:
3.46

Polar Surface Area:
103.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5204225

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(6-fluoro-4-methyl-1H-benzo[d]imidazol-Show More⌵

Mol. Formula:
C24H20F2N6

M.W.:
430.46

2 activity values

1 unique targets

Type:
---

AlogP:
4.29

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5202785

Name:
(Rac)-Trans-3-(4-((3R,4R)-3-amino-4-hydroxypyrrolidin-1-yl)-5-(4-fluoro-1H-Show More⌵

Mol. Formula:
C23H19FN6O

M.W.:
414.44

2 activity values

1 unique targets

Type:
---

AlogP:
2.81

Polar Surface Area:
114.85

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5202527

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(4-fluoro-1H-benzo[d]imidazol-2-yl)pyriShow More⌵

Mol. Formula:
C23H19FN6

M.W.:
398.45

2 activity values

1 unique targets

Type:
---

AlogP:
3.84

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5201920

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(4-fluoro-1H-benzo[d]imidazol-2-yl)pyriShow More⌵

Mol. Formula:
C23H18F2N6

M.W.:
416.44

2 activity values

1 unique targets

Type:
---

AlogP:
3.98

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5200958

Name:
(1-(3-(4,6-difluoro-1H-benzo[d]imidazol-2-yl)-5-(2-fluorophenyl)pyridin-4-yShow More⌵

Mol. Formula:
C22H18F3N5

M.W.:
409.42

2 activity values

1 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5200338

Name:
(1-(3-(3-fluoro-5-methylphenyl)-5-(4-methoxy-1H-benzo[d]imidazol-2-yl)pyridShow More⌵

Mol. Formula:
C24H24FN5O

M.W.:
417.49

2 activity values

1 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
80.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5200076

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(5-fluoro-4-methyl-1H-benzo[d]imidazol-Show More⌵

Mol. Formula:
C24H20F2N6

M.W.:
430.46

2 activity values

1 unique targets

Type:
---

AlogP:
4.29

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5209017

Name:
(cis/trans)-3-(4-(3-amino-4-(trifluoromethyl)pyrrolidin-1-yl)-5-(4-fluoro-1Show More⌵

Mol. Formula:
C24H18F4N6

M.W.:
466.44

2 activity values

1 unique targets

Type:
---

AlogP:
4.63

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5208674

Name:
(S)-3-(4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-fluoro-1H-benzo[d]imidazol-Show More⌵

Mol. Formula:
C24H21FN6

M.W.:
412.47

2 activity values

1 unique targets

Type:
---

AlogP:
4.23

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5208031

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(1,4-dimethyl-1H-benzo[d]imidazol-2-yl)Show More⌵

Mol. Formula:
C25H23FN6

M.W.:
426.50

2 activity values

1 unique targets

Type:
---

AlogP:
4.16

Polar Surface Area:
83.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5195986

Name:
(1-(3-(4,6-difluoro-1H-benzo[d]imidazol-2-yl)-5-(4-fluorophenyl)pyridin-4-yShow More⌵

Mol. Formula:
C22H18F3N5

M.W.:
409.42

2 activity values

1 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5195355

Name:
(S)-3-(4-(3-aminopyrrolidin-1-yl)-5-(4-methyl-1H-benzo[d]imidazol-2-yl)pyriShow More⌵

Mol. Formula:
C24H21FN6

M.W.:
412.47

37 activity values

13 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5193208

Name:
(1-(3-(4-chloro-1H-benzo[d]imidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridiShow More⌵

Mol. Formula:
C23H21ClFN5

M.W.:
421.91

2 activity values

1 unique targets

Type:
---

AlogP:
4.79

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5192571

Name:
(S)-4-(4-(3-aminopyrrolidin-1-yl)-5-(4-fluoro-1H-benzo[d]imidazol-2-yl)pyriShow More⌵

Mol. Formula:
C23H18F2N6

M.W.:
416.44

2 activity values

1 unique targets

Type:
---

AlogP:
3.98

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5192315

Name:
1-(1-(3-(4,6-difluoro-1H-benzo[d]imidazol-2-yl)-5-(3-fluoro-5-(trifluorometShow More⌵

Mol. Formula:
C24H19F6N5

M.W.:
491.44

2 activity values

1 unique targets

Type:
---

AlogP:
5.51

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5190580

Name:
2-(4-(3-(aminomethyl)azetidin-1-yl)-5-(3-fluoro-5-methylphenyl)pyridin-3-ylShow More⌵

Mol. Formula:
C24H21FN6

M.W.:
412.47

2 activity values

1 unique targets

Type:
---

AlogP:
4.01

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5189678

Name:
(1-(3-(4,6-difluoro-1H-benzo[d]imidazol-2-yl)-5-(3-fluorophenyl)pyridin-4-yShow More⌵

Mol. Formula:
C22H18F3N5

M.W.:
409.42

2 activity values

1 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5188855

Name:
(1-(3-(4,6-difluoro-1H-benzo[d]imidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyShow More⌵

Mol. Formula:
C23H20F3N5

M.W.:
423.44

2 activity values

1 unique targets

Type:
---

AlogP:
4.41

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS