Compounds

ALA5090898

Name:
1-(4'-fluorobiphenyl-4-yl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyrrolidinShow More⌵

Mol. Formula:
C25H24FN3O3

M.W.:
433.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5090045

Name:
(R)-1-(3-(2-fluoro-4-methylpyridin-3-yl)phenyl)-4-(4-(thiazole-2-carbonyl)pShow More⌵

Mol. Formula:
C24H24FN5O2S

M.W.:
465.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
69.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5089959

Name:
1-(4-((R)-3-fluoropyrrolidin-1-yl)phenyl)-4-(4-(furan-2-carbonyl)piperazin-Show More⌵

Mol. Formula:
C23H27FN4O3

M.W.:
426.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
60.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5089326

Name:
(R)-1-(4'-fluorobiphenyl-4-yl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyrrolShow More⌵

Mol. Formula:
C25H24FN3O3

M.W.:
433.48

49 activity values

13 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5087100

Name:
1-(3-(2-fluoropyridin-3-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrShow More⌵

Mol. Formula:
C23H23FN6O

M.W.:
418.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
65.46

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5086006

Name:
1-(3'-methoxybiphenyl-3-yl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-Show More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
61.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5084732

Name:
1-(3-((S)-3-fluoropyrrolidin-1-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-Show More⌵

Mol. Formula:
C22H27FN6O

M.W.:
410.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
55.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5084467

Name:
1-(3'-methoxybiphenyl-4-yl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-Show More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
61.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5084120

Name:
4-(4-(furan-2-carbonyl)piperazin-1-yl)-1-(3'-methoxybiphenyl-3-yl)pyrrolidiShow More⌵

Mol. Formula:
C26H27N3O4

M.W.:
445.52

17 activity values

3 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
66.23

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5083362

Name:
1-(3-(6-fluoropyridin-3-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrShow More⌵

Mol. Formula:
C23H23FN6O

M.W.:
418.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
65.46

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5083252

Name:
1-(3-((R)-3-fluoropyrrolidin-1-yl)phenyl)-4-(4-(furan-2-carbonyl)piperazin-Show More⌵

Mol. Formula:
C23H27FN4O3

M.W.:
426.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
60.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5082445

Name:
1-(2'-methoxybiphenyl-3-yl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-Show More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
61.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5082157

Name:
1-(4-(6-fluoropyridin-3-yl)phenyl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyShow More⌵

Mol. Formula:
C24H23FN4O3

M.W.:
434.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
69.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5082041

Name:
4-(4-(furan-2-carbonyl)piperazin-1-yl)-1-(3'-methoxybiphenyl-4-yl)pyrrolidiShow More⌵

Mol. Formula:
C26H27N3O4

M.W.:
445.52

17 activity values

3 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
66.23

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5080859

Name:
1-(3-((R)-3-fluoropyrrolidin-1-yl)phenyl)-4-(4-(pyrimidin-2-yl)piperazin-1-Show More⌵

Mol. Formula:
C22H27FN6O

M.W.:
410.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
55.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5078235

Name:
4-(4-(furan-2-carbonyl)piperazin-1-yl)-1-(2'-methoxybiphenyl-4-yl)pyrrolidiShow More⌵

Mol. Formula:
C26H27N3O4

M.W.:
445.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
66.23

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5078113

Name:
(S)-1-(4'-fluorobiphenyl-4-yl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyrrolShow More⌵

Mol. Formula:
C25H24FN3O3

M.W.:
433.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5076234

Name:
1-(3'-fluorobiphenyl-3-yl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyrrolidinShow More⌵

Mol. Formula:
C25H24FN3O3

M.W.:
433.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5076016

Name:
1-(2'-methoxybiphenyl-4-yl)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-Show More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
61.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5075907

Name:
1-(2'-fluorobiphenyl-4-yl)-4-(4-(furan-2-carbonyl)piperazin-1-yl)pyrrolidinShow More⌵

Mol. Formula:
C25H24FN3O3

M.W.:
433.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
57.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS