Compounds

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
165.64

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4875627

Name:
(R)-2-(1-((R)-2-((1R,3s,5S)-8-oxabicyclo[3.2.1]octan-3-yloxy)-2-(2-methoxypShow More⌵

Mol. Formula:
C33H38N4O9S2

M.W.:
698.82

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
160.96

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4874989

Name:
1-(1-((R)-2-((1R,3s,5S)-8-oxabicyclo[3.2.1]octan-3-yloxy)-2-(2-(difluorometShow More⌵

Mol. Formula:
C33H35F3N6O8S2

M.W.:
764.81

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
165.64

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4864719

Name:
2-(1-((R)-2-((1R,3s,5S)-8-oxabicyclo[3.2.1]octan-3-yloxy)-2-(2-methoxyphenyShow More⌵

Mol. Formula:
C33H40N6O8S2

M.W.:
712.85

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
165.64

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4861716

Name:
1-(1-((R)-2-((1R,3s,5S)-8-oxabicyclo[3.2.1]octan-3-yloxy)-2-(2-methoxyphenyShow More⌵

Mol. Formula:
C33H38N6O8S2

M.W.:
710.84

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
165.64

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4859704

Name:
2-(1-((R)-2-((1R,3s,5S)-8-oxabicyclo[3.2.1]octan-3-yloxy)-2-(2-methoxyphenyShow More⌵

Mol. Formula:
C34H40N4O9S2

M.W.:
712.85

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
160.96

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4800274

Name:
2'-(tert-butyl)-1-(2-(4-fluorophenyl)quinoline-4-carbonyl)-2'H-spiro[piperiShow More⌵

Mol. Formula:
C30H29FN4O3

M.W.:
512.59

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4798426

Name:
2'-(tert-butyl)-1-(2-methylquinoline-4-carbonyl)-2'H-spiro[piperidine-4,5'-Show More⌵

Mol. Formula:
C25H28N4O3

M.W.:
432.52

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4796473

Name:
N-{1-[5-({4-[3-(Cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl}methoxy)pyraShow More⌵

Mol. Formula:
C25H25F2N3O4

M.W.:
469.49

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
82.57

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4795824

Name:
2'-(tert-butyl)-1-(2-phenylquinoline-4-carbonyl)-2'H-spiro[piperidine-4,5'-Show More⌵

Mol. Formula:
C30H30N4O3

M.W.:
494.60

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4794153

Name:
N-(1-{4'-[3-(Cyclopropylmethoxy)phenoxy][1,1'-biphenyl]-4-yl}ethyl)acetamidShow More⌵

Mol. Formula:
C26H27NO3

M.W.:
401.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.13

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4793476

Name:
2'-(tert-butyl)-1-(2-(4-methoxyphenyl)quinoline-4-carbonyl)-2'H-spiro[piperShow More⌵

Mol. Formula:
C31H32N4O4

M.W.:
524.62

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
86.55

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4792495

Name:
2'-(tert-butyl)-1-(2-(p-tolyl)quinoline-4-carbonyl)-2'H-spiro[piperidine-4,Show More⌵

Mol. Formula:
C31H32N4O3

M.W.:
508.62

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4791989

Name:
2'-(tert-butyl)-1-(2-(pyridin-4-yl)quinoline-4-carbonyl)-2'H-spiro[piperidiShow More⌵

Mol. Formula:
C29H29N5O3

M.W.:
495.58

59 activity values

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
90.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4785950

Name:
2'-(tert-butyl)-1-(2-isopropoxyquinoline-4-carbonyl)-2'H-spiro[Piperidine-4Show More⌵

Mol. Formula:
C27H32N4O4

M.W.:
476.58

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
86.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4784855

Name:
1-(2-(4-bromophenyl)quinoline-4-carbonyl)-2'-(tert-butyl)-2'H-spiro[piperidShow More⌵

Mol. Formula:
C30H29BrN4O3

M.W.:
573.49

9 activity values

Type:
Unknown

AlogP:
6.26

Polar Surface Area:
77.32

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4780091

Name:
2'-(tert-butyl)-1-(2-(piperazin-1-yl)quinoline-4-carbonyl)-2'H-spiro[piperiShow More⌵

Mol. Formula:
C28H34N6O3

M.W.:
502.62

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
92.59

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4779539

Name:
2'-(tert-butyl)-1-(2-(pyridin-2-yl)quinoline-4-carbonyl)-2'H-spiro[piperidiShow More⌵

Mol. Formula:
C29H29N5O3

M.W.:
495.58

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
90.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4777684

Name:
2'-(tert-butyl)-1-(2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl)-2'H-spirShow More⌵

Mol. Formula:
C29H36N6O3

M.W.:
516.65

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
83.80

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4777434

Name:
2'-(tert-butyl)-1-(2-(2-chlorophenyl)quinoline-4-carbonyl)-2'H-spiro[piperiShow More⌵

Mol. Formula:
C30H29ClN4O3

M.W.:
529.04