Compounds

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4588845

Name:
N-[2-(Diethylamino)ethyl]-2-(pentan-3-yloxy)quinoline-4-carboxamide

Mol. Formula:
C21H31N3O2

M.W.:
357.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4584210

Name:
tert-Butyl (S,E)-2-Cyano-4-((S)-3-(4-fluorophenyl)-2-(5-methylisoxazole-3-cShow More⌵

Mol. Formula:
C29H34FN5O6

M.W.:
567.62

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
163.42

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4582154

Name:
2-Phenyl-N-[2-(pyrrolidin-1-yl)ethyl]quinoline-4-carboxamide

Mol. Formula:
C22H23N3O

M.W.:
345.45

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4576602

Name:
(E/Z)-N-((S)-1-(((S)-4-Cyano-1-((S)-2-oxopiperidin-3-yl)pent-3-en-2-yl)aminShow More⌵

Mol. Formula:
C25H28FN5O4

M.W.:
481.53

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4568853

Name:
N-[2-(Diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-quinoline-4-carbShow More⌵

Mol. Formula:
C21H26N4O2

M.W.:
366.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4559480

Name:
N-((S)-1-(((S,E)-4-Cyano-1-((S)-2-oxopiperidin-3-yl)but-3-en-2-yl)amino)-3-Show More⌵

Mol. Formula:
C24H26FN5O4

M.W.:
467.50

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4551830

Name:
N-{1-Azabicyclo[2.2.2]octan-3-yl}-2-phenylquinoline-4-carboxamide

Mol. Formula:
C23H23N3O

M.W.:
357.46

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4551761

Name:
Methyl (2R/S,4S)-2-Cyano-4-((S)-3-(4-fluorophenyl)-2-(5-methylisoxazole-3-cShow More⌵

Mol. Formula:
C26H30FN5O6

M.W.:
527.55

Type:
Unknown

AlogP:
1.57

Polar Surface Area:
163.42

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4546882

Name:
Methyl (S,E)-4-((S)-3-(4-Fluorophenyl)-2-(5-methylisoxazole-3-carboxamido)pShow More⌵

Mol. Formula:
C25H29FN4O6

M.W.:
500.53

10 activity values

6 unique targets

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
139.63

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4541609

Name:
N-[2-(Diethylamino)ethyl]-6-methoxy-2-phenylquinoline-4-carboxamide

Mol. Formula:
C23H27N3O2

M.W.:
377.49

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4537513

Name:
N-((S)-1-(((S,Z)-4-Cyano-1-((S)-2-oxopiperidin-3-yl)-4-(thiophen-3-yl)but-3Show More⌵

Mol. Formula:
C28H28FN5O4S

M.W.:
549.63

6 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
137.12

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4534451

Name:
N-[2-(Diethylamino)ethyl]-2-phenylquinoline-4-carboxamide

Mol. Formula:
C22H25N3O

M.W.:
347.46

4 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4532865

Name:
(E/Z)-Ethyl (S)-2-Chloro-4-((S)-3-(4-fluorophenyl)-2-(5-methylisoxazole-3-cShow More⌵

Mol. Formula:
C26H30ClFN4O6

M.W.:
549.00

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
139.63

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4527399

Name:
N-[2-(Diethylamino)ethyl]-2-{4-[(morpholin-4-yl)methyl]-phenyl}quinoline-4-Show More⌵

Mol. Formula:
C27H34N4O2

M.W.:
446.60

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4521890

Name:
N-((S)-1-(((S,E)-4-Cyano-1-((S)-2-oxopiperidin-3-yl)-4-(pyridin-2-yl)but-3-Show More⌵

Mol. Formula:
C29H29FN6O4

M.W.:
544.59

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
150.01

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4521859

Name:
N-((S)-1-(((S,Z)-4-Cyano-1-((S)-2-oxopiperidin-3-yl)-4-phenylbut-3-en-2-yl)Show More⌵

Mol. Formula:
C30H30FN5O4

M.W.:
543.60

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4520704

Name:
N-((S)-1-(((S,Z)-4-Cyano-4-(naphthalen-2-yl)-1-((S)-2-oxopiperidin-3-yl)butShow More⌵

Mol. Formula:
C34H32FN5O4

M.W.:
593.66

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
137.12

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4519619

Name:
Ethyl (S,E)-2-Cyano-4-((S)-3-(4-fluorophenyl)-2-(5-methylisoxazole-3-carboxShow More⌵

Mol. Formula:
C27H30FN5O6

M.W.:
539.56

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
163.42

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4515394

Name:
(E/Z)-N-((S)-1-(((S)-4-Chloro-4-cyano-1-((S)-2-oxopiperidin-3-yl)but-3-en-2Show More⌵

Mol. Formula:
C24H25ClFN5O4

M.W.:
501.95