Compounds

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

ALA5209540

Name:
(S)-2-(5-phenylthiazol-2-yl)-N-(2-(trifluoromethyl)phenyl)pyrrolidine-1-carShow More⌵

Mol. Formula:
C21H18F3N3OS

M.W.:
417.46

Type:
---

AlogP:
6.20

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5209530

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

Mol. Formula:
C23H25N3OS

M.W.:
391.54

Type:
---

AlogP:
6.10

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5209020

Name:
(S)-2-(5-phenylthiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)Pyrrolidine-1-carShow More⌵

Mol. Formula:
C21H18F3N3OS

M.W.:
417.46

5 activity values

2 unique targets

Type:
---

AlogP:
6.20

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5208483

Name:
(S)-N-(3-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

ALA5208154

Name:
(S)-N-(4-fluorophenyl)-2-(5-phenylthiazol-2-yl)pyrrolidine-1-carboxamide

Mol. Formula:
C20H18FN3OS

M.W.:
367.45

Type:
---

AlogP:
5.32

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5208028

Name:
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(1H-indazol-5-yl)-piperazineShow More⌵

Mol. Formula:
C18H16ClF3N6O

M.W.:
424.81

Type:
---

AlogP:
3.98

Polar Surface Area:
77.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5207573

Name:
(S)-N-(4-(tert-butyl)phenyl)-2-(4-(4-fluorophenyl)-thiazol-2-yl)pyrrolidineShow More⌵

Mol. Formula:
C24H26FN3OS

M.W.:
423.56

Type:
---

AlogP:
6.62

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5207515

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

Mol. Formula:
C19H19Cl2N5O

M.W.:
404.30

Type:
---

AlogP:
4.61

Polar Surface Area:
64.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5207491

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

Mol. Formula:
C19H21N5O2

M.W.:
351.41

Type:
---

AlogP:
2.93

Polar Surface Area:
73.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5207045

Name:
N-(1H-Indazol-5-yl)-4-(o-tolyl)piperazine-1-carboxamide

Mol. Formula:
C19H21N5O

M.W.:
335.41

Type:
---

AlogP:
3.23

Polar Surface Area:
64.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5206895

Name:
4-(5-Chloropyridin-2-yl)-N-(1H-indazol-6-yl)-1,4-diazepane-1-carboxamide

Mol. Formula:
C18H19ClN6O

M.W.:
370.84

Type:
---

AlogP:
3.36

Polar Surface Area:
77.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5206746

Name:
(S)-N-(4-methyl-2-nitrophenyl)-2-(5-phenylthiazol-2-yl)Pyrrolidine-1-carboxShow More⌵

Mol. Formula:
C21H20N4O3S

M.W.:
408.48

Type:
---

AlogP:
5.40

Polar Surface Area:
88.37

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5206635

Name:
(S)-N-(4-fluorophenyl)-2-(4-phenyl-thiazol-2-yl)pyrrolidine-1-carboxamide

Mol. Formula:
C20H18FN3OS

M.W.:
367.45

Type:
---

AlogP:
5.32

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5206421

Name:
(2S)-N-(2,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carbShow 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

ALA5206393

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

Mol. Formula:
C20H18FN3OS

M.W.:
367.45

Type:
---

AlogP:
5.32

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

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