Compounds

4 unique targets

Type:
Protein

AlogP:
-1.81

Polar Surface Area:
150.28

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1727220

Name:
SID49671070

Mol. Formula:
C22H17ClFN3O2

M.W.:
409.85

3 activity values

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
55.63

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1717527

Name:
SID49724559

Mol. Formula:
C19H19ClN2O2

M.W.:
342.83

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1711436

Name:
SID49734991

Mol. Formula:
C22H27ClFN3O2S

M.W.:
452.00

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1700567

Name:
SID14721025

Mol. Formula:
C16H32N4O6

M.W.:
376.45

4 unique targets

Type:
Small molecule

AlogP:
-2.36

Polar Surface Area:
129.58

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1700194

Name:
SID49729237

Mol. Formula:
C18H23N3O

M.W.:
297.40

2 activity values

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
60.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA1426354

Name:
SID49645137

Mol. Formula:
C21H21NO5

M.W.:
367.40

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA224525

Name:
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-propyl-1H-iShow More⌵

Mol. Formula:
C20H30N6O4

M.W.:
418.50

Type:
Protein

AlogP:
-0.47

Polar Surface Area:
150.28

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA388528

Name:
(2S)-1-{(2S)-3-(1-allyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylShow More⌵

Mol. Formula:
C20H28N6O4

M.W.:
416.48

Type:
Protein

AlogP:
-0.76

Polar Surface Area:
139.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA389037

Name:
(2S)-1-{(2S)-3-(1-benzyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinyShow More⌵

Mol. Formula:
C24H30N6O4

M.W.:
466.54

Type:
Protein

AlogP:
0.10

Polar Surface Area:
139.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA390942

Name:
(2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylShow More⌵

Mol. Formula:
C19H28N6O4

M.W.:
404.47

Type:
Protein

AlogP:
-0.92

Polar Surface Area:
139.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA223972

Name:
(2S)-1-{(2S)-3-(1-methyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinyShow More⌵

Mol. Formula:
C18H26N6O4

M.W.:
390.44

Type:
Protein

AlogP:
-1.41

Polar Surface Area:
139.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA224730

Name:
[N tau(1)-Me-His]-TRH

Mol. Formula:
C23H32N9O5+

M.W.:
514.57

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.85

Polar Surface Area:
204.25

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA376135

Name:
(2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-cyclohexyl-1H-imidazoShow More⌵

Mol. Formula:
C23H33N5O4

M.W.:
443.55

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA389955

Name:
(2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-tert-butyl-1H-imidazoShow More⌵

Mol. Formula:
C21H31N5O4

M.W.:
417.51

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA388350

Name:
(2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-isopropyl-1H-imidazolShow More⌵

Mol. Formula:
C20H29N5O4

M.W.:
403.48

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA224715

Name:
(2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-propyl-1H-imidazolyl)Show More⌵

Mol. Formula:
C20H29N5O4

M.W.:
403.48

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA375196

Name:
(2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3-(2-cyclohexyl-1H-imidazoShow More⌵

Mol. Formula:
C23H33N5O4

M.W.:
443.55

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA389858

Name:
(2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3-(2-tert-butyl-1H-imidazoShow More⌵

Mol. Formula:
C21H31N5O4

M.W.:
417.51

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
138.25

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA223876

Name:
(2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3-(2-isopropyl-1H-imidazolShow More⌵

Mol. Formula:
C20H29N5O4

M.W.:
403.48