Compounds

Type:
---

AlogP:
6.34

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5198687

Name:
(S)-N-(4-fluorophenyl)-2-(4-(4-fluorophenyl)-thiazol-2-yl)Pyrrolidine-1-carShow More⌵

Mol. Formula:
C20H17F2N3OS

M.W.:
385.44

Type:
---

AlogP:
5.46

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5198561

Name:
4-(5-Chloropyridin-2-yl)-N-(1-methyl-1H-indazol-6-yl)-piperazine-1-carboxamShow More⌵

Mol. Formula:
C18H19ClN6O

M.W.:
370.84

Type:
---

AlogP:
2.98

Polar Surface Area:
66.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5198308

Name:
Cyclohexyl-N-(1H-indazol-6-yl)piperazine-1-carboxamide

Mol. Formula:
C18H25N5O

M.W.:
327.43

Type:
---

AlogP:
2.95

Polar Surface Area:
73.05

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5198154

Name:
(S)-N-(3-chlorophenyl)-2-(5-phenylthiazol-2-yl)pyrrolidine-1-carboxamide

Mol. Formula:
C20H18ClN3OS

M.W.:
383.90

Type:
---

AlogP:
5.83

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5197804

Name:
N-(1H-Indazol-5-yl)-4-(3-methoxypyridin-2-yl)piperazine-1-carboxamide

Mol. Formula:
C18H20N6O2

M.W.:
352.40

Type:
---

AlogP:
2.32

Polar Surface Area:
86.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5197704

Name:
4-(2,3-Dichlorophenyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide

Mol. Formula:
C18H17Cl2N5O

M.W.:
390.27

59 activity values

11 unique targets

Type:
---

AlogP:
4.22

Polar Surface Area:
64.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5197633

Name:
(S)-N-(2-chloropyridin-3-yl)-2-(4-(3-fluorophenyl)-thiazol-2-yl)pyrrolidineShow More⌵

Mol. Formula:
C19H16ClFN4OS

M.W.:
402.88

Type:
---

AlogP:
5.37

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5197188

Name:
(S)-N-(4-chlorophenyl)-2-(4-(4-fluorophenyl)-thiazol-2-yl)pyrolidine-1-carbShow More⌵

Mol. Formula:
C20H17ClFN3OS

M.W.:
401.89

6 activity values

2 unique targets

Type:
---

AlogP:
5.97

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5196739

Name:
(S)-N-(2-chlorophenyl)-2-(4-(4-fluorophenyl)-thiazol-2-yl)pyrrolidine-1-carShow More⌵

Mol. Formula:
C20H17ClFN3OS

M.W.:
401.89

Type:
---

AlogP:
5.97

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5196648

Name:
(S)-2-(4-(4-fluorophenyl)-thiazol-2-yl)-N-(isoquinolin-5-yl)pyrrolidine-1-cShow More⌵

Mol. Formula:
C23H19FN4OS

M.W.:
418.50

Type:
---

AlogP:
5.87

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5196182

Name:
4-(2-Chlorophenyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide

Mol. Formula:
C18H18ClN5O

M.W.:
355.83

Type:
---

AlogP:
3.57

Polar Surface Area:
64.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5206060

Name:
N-(1H-Indazol-4-yl)-4-(3-(trifluoromethyl)pyridin-2-yl)-piperazine-1-carboxShow More⌵

Mol. Formula:
C18H17F3N6O

M.W.:
390.37

Type:
---

AlogP:
3.33

Polar Surface Area:
77.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5205194

Name:
(S)-N-(2,4-dimethylphenyl)-2-(5-phenylthiazol-2-yl)pyrrolidine-1-carboxamidShow More⌵

Mol. Formula:
C22H23N3OS

M.W.:
377.51

Type:
---

AlogP:
5.80

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5204829

Name:
(S)-N-(2,5-dimethylphenyl)-2-(4-phenyl-thiazol-2-yl)pyrrolidine-1-carboxamiShow More⌵

Mol. Formula:
C22H23N3OS

M.W.:
377.51

Type:
---

AlogP:
5.80

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5204445

Name:
(S)-2-(4-(4-fluorophenyl)-thiazol-2-yl)-N-(4-(trifluoromethyl)phenyl)pyrrolShow More⌵

Mol. Formula:
C21H17F4N3OS

M.W.:
435.45

Type:
---

AlogP:
6.34

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5203984

Name:
4-(5-Chloropyridin-2-yl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide

Mol. Formula:
C17H17ClN6O

M.W.:
356.82

Type:
---

AlogP:
2.97

Polar Surface Area:
77.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5203890

Name:
4-(3-Chloropyridin-2-yl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide

Mol. Formula:
C17H17ClN6O

M.W.:
356.82

Type:
---

AlogP:
2.97

Polar Surface Area:
77.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5203820

Name:
4-(2,3-Dichlorophenyl)-N-(1-methyl-1H-indazol-6-yl)piperidine-1-carboxamide

Mol. Formula:
C20H20Cl2N4O

M.W.:
403.31

Type:
---

AlogP:
5.29

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5203639

Name:
(2S)-N-(4-chloro-2-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-Show More⌵

Mol. Formula:
C20H17ClN4O3S

M.W.:
428.90