Compounds

ALA4218858

Name:
N-(8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)-2-(4-(trifluoromethyl)Show More⌵

Mol. Formula:
C23H22F3N3O2

M.W.:
429.44

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4218793

Name:
5-((6-bromo-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H22BrN3O

M.W.:
436.35

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4217188

Name:
Ethyl 5-fluoro-1-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)Show More⌵

Mol. Formula:
C26H26FN3O3

M.W.:
447.51

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
67.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4216591

Name:
1-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-2,3-dihydroquiShow More⌵

Mol. Formula:
C24H25N3O2

M.W.:
387.48

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
56.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4215928

Name:
5-(4-isopropylbenzyloxy)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C24H28N2O2

M.W.:
376.50

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4215393

Name:
5-((2-ethyl-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C25H27N3O

M.W.:
385.51

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4215109

Name:
5-((5-fluoro-1H-indazol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C22H21FN4O

M.W.:
376.44

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
54.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4214895

Name:
Ethyl 1-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-1H-indolShow More⌵

Mol. Formula:
C26H27N3O3

M.W.:
429.52

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
67.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4214373

Name:
5-((6-fluoro-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H22FN3O

M.W.:
375.45

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4212145

Name:
N-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-2-(4-nitrophenShow More⌵

Mol. Formula:
C23H24N4O4

M.W.:
420.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
108.60

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4211611

Name:
5-((6-chloro-9H-purin-9-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C20H19ClN6O

M.W.:
394.87

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
79.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4211490

Name:
1-(4-bromobenzyl)-3-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methShow More⌵

Mol. Formula:
C23H24BrN3O2

M.W.:
454.37

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4210971

Name:
5-((1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H23N3O

M.W.:
357.46

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4210483

Name:
1-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-1H-indole-5-caShow More⌵

Mol. Formula:
C24H22N4O

M.W.:
382.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
65.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4209981

Name:
5-((5-nitro-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H22N4O3

M.W.:
402.45

22 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
84.43

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4209848

Name:
5-((7-methyl-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C24H25N3O

M.W.:
371.48

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4209565

Name:
5-((7-fluoro-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H22FN3O

M.W.:
375.45

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4208723

Name:
N-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-2-(4-(trifluorShow More⌵

Mol. Formula:
C24H24F3N3O2

M.W.:
443.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4208078

Name:
5-((4-fluoro-1H-indol-1-yl)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Mol. Formula:
C23H22FN3O

M.W.:
375.45

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
41.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4207259

Name:
N-((8-hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl)methyl)-2-(3,4,5-trimeShow More⌵

Mol. Formula:
C26H31N3O5

M.W.:
465.55

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
93.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS