Compounds

ALA5198576

Name:
(3aR,4R,7S,7aR)-3-(5-(4-cyanophenyl)pyridin-3-yl)-N-(1H-indazol-5-yl)-4,5,6Show More⌵

Mol. Formula:
C28H22N6O2

M.W.:
474.52

3 activity values

3 unique targets

Type:
---

AlogP:
4.65

Polar Surface Area:
116.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5197879

Name:
(3aR,4R,7S,7aR)-N-(4-methoxyphenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7Show More⌵

Mol. Formula:
C21H21N3O3

M.W.:
363.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.25

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5197102

Name:
(3aR,4R,7S,7aR)-N-(4-chlorophenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-Show More⌵

Mol. Formula:
C20H18ClN3O2

M.W.:
367.84

3 activity values

3 unique targets

Type:
---

AlogP:
3.89

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5196347

Name:
(3aR,4R,7S,7aR)-3-(5-(furan-3-yl)pyridin-3-yl)-N-(1H-indazol-5-yl)-4,5,6,7-Show More⌵

Mol. Formula:
C25H21N5O3

M.W.:
439.48

3 activity values

3 unique targets

Type:
---

AlogP:
4.38

Polar Surface Area:
105.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5204984

Name:
(3aR,4R,7S,7aR)-N-(2-methoxyphenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7Show More⌵

Mol. Formula:
C21H21N3O3

M.W.:
363.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.25

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5204850

Name:
(3aR,4R,7S,7aR)-N-(3-methoxyphenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7Show More⌵

Mol. Formula:
C21H21N3O3

M.W.:
363.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.25

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5204043

Name:
(3aR,4R,7S,7aR)-N-(1H-indol-5-yl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-mShow More⌵

Mol. Formula:
C22H20N4O2

M.W.:
372.43

3 activity values

3 unique targets

Type:
---

AlogP:
3.72

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5203687

Name:
(3aR,4R,7S,7aR)-N-(1H-indol-6-yl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-mShow More⌵

Mol. Formula:
C22H20N4O2

M.W.:
372.43

3 activity values

3 unique targets

Type:
---

AlogP:
3.72

Polar Surface Area:
79.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5203488

Name:
(3aR,4R,7S,7aR)-3-(pyridin-3-yl)-N-(pyrimidin-2-yl)-4,5,6,7-tetrahydro-4,7-Show More⌵

Mol. Formula:
C18H17N5O2

M.W.:
335.37

3 activity values

3 unique targets

Type:
---

AlogP:
2.03

Polar Surface Area:
89.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5202486

Name:
(3aR,4R,7S,7aR)-N-(3-chlorophenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-Show More⌵

Mol. Formula:
C20H18ClN3O2

M.W.:
367.84

3 activity values

3 unique targets

Type:
---

AlogP:
3.89

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5202317

Name:
(3aR,4R,7S,7aR)-N-(4-nitrophenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-mShow More⌵

Mol. Formula:
C20H18N4O4

M.W.:
378.39

3 activity values

3 unique targets

Type:
---

AlogP:
3.15

Polar Surface Area:
106.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5201480

Name:
(3aR,4R,7S,7aR)-N-(1H-indazol-5-yl)-3-(5-(3-(trifluoromethyl)phenyl)pyridinShow More⌵

Mol. Formula:
C28H22F3N5O2

M.W.:
517.51

3 activity values

3 unique targets

Type:
---

AlogP:
5.80

Polar Surface Area:
92.26

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5199220

Name:
(3aS,4R,7R,7aR)-N-(3-nitrophenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-mShow More⌵

Mol. Formula:
C20H18N4O4

M.W.:
378.39

3 activity values

3 unique targets

Type:
---

AlogP:
3.15

Polar Surface Area:
106.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5209512

Name:
(3aR,4R,7S,7aR)-3-(5-(3-cyanophenyl)pyridin-3-yl)-N-(1H-indazol-5-yl)-4,5,6Show More⌵

Mol. Formula:
C28H22N6O2

M.W.:
474.52

3 activity values

3 unique targets

Type:
---

AlogP:
4.65

Polar Surface Area:
116.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5196053

Name:
(3aR,4R,7S,7aR)-N-phenyl-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-methanobenShow More⌵

Mol. Formula:
C20H19N3O2

M.W.:
333.39

3 activity values

3 unique targets

Type:
---

AlogP:
3.24

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5195876

Name:
(3aR,4R,7S,7aR)-3-(pyridin-3-yl)-N-(o-tolyl)-4,5,6,7-tetrahydro-4,7-methanoShow More⌵

Mol. Formula:
C21H21N3O2

M.W.:
347.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.55

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5195761

Name:
(3aR,4R,7S,7aR)-N-(1H-indazol-5-yl)-3-(5-(thiophen-3-yl)pyridin-3-yl)-4,5,6Show More⌵

Mol. Formula:
C25H21N5O2S

M.W.:
455.54

3 activity values

3 unique targets

Type:
---

AlogP:
4.84

Polar Surface Area:
92.26

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5192747

Name:
(3aR,4R,7S,7aR)-3-(pyridin-3-yl)-N-(p-tolyl)-4,5,6,7-tetrahydro-4,7-methanoShow More⌵

Mol. Formula:
C21H21N3O2

M.W.:
347.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.55

Polar Surface Area:
63.58

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5189922

Name:
(3aR,4R,7S,7aR)-N-(2-aminophenyl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydro-4,7-mShow More⌵

Mol. Formula:
C20H20N4O2

M.W.:
348.41

3 activity values

3 unique targets

Type:
---

AlogP:
2.82

Polar Surface Area:
89.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5189860

Name:
(3aR,4R,7S,7aR)-N-(4-methylpyridin-3-yl)-3-(pyridin-3-yl)-4,5,6,7-tetrahydrShow More⌵

Mol. Formula:
C20H20N4O2

M.W.:
348.41

3 activity values

3 unique targets

Type:
---

AlogP:
2.94

Polar Surface Area:
76.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS