Compounds

Type:
---

AlogP:
4.99

Polar Surface Area:
126.66

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5170824

Name:
2-Fluoro-2-((1-(3-fluorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihShow More⌵

Mol. Formula:
C23H28ClF2NO4S

M.W.:
488.00

9 activity values

4 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5087412

Name:
Rac-2-(methylamino)-N-(2-(4'-(trifluoromethyl)biphenyl-4-yl)ethyl)pentanamiShow More⌵

Mol. Formula:
C21H26ClF3N2O

M.W.:
414.90

7 activity values

7 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5087085

Name:
Rac-2-Amino-N-(4-((4-(trifluoromethyl)benzyl)oxy)phenethyl)-pentanamide HydShow More⌵

Mol. Formula:
C21H26ClF3N2O2

M.W.:
430.90

6 activity values

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4798957

Name:
10-(2-methylpyridin-4-yl)-N-(3-(trifluoromethoxy)phenyl)-5,6-dihydrobenzo[fShow More⌵

Mol. Formula:
C23H18F3N5O2

M.W.:
453.42

9 activity values

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
74.09

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4790150

Name:
10-(pyridin-4-yl)-N-(3-(trifluoromethyl)phenyl)-5,6-dihydrobenzo[f][1,2,4]tShow More⌵

Mol. Formula:
C22H16F3N5O

M.W.:
423.40

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4788072

Name:
10-(2-methylpyridin-4-yl)-N-(3-(trifluoromethyl)phenyl)-5,6-dihydrobenzo[f]Show More⌵

Mol. Formula:
C23H18F3N5O

M.W.:
437.43

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4787638

Name:
N-(3-chlorophenyl)-7-(pyridin-4-yl)-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)Show More⌵

Mol. Formula:
C21H18ClN3O2

M.W.:
379.85

13 activity values

8 unique targets

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4761139

Name:
3-(3-chlorophenoxy)-10-(2-methylpyridin-4-yl)-5,6-dihydrobenzo[f][1,2,4]triShow More⌵

Mol. Formula:
C22H17ClN4O2

M.W.:
404.86

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4759692

Name:
3-(2-chlorophenoxy)-10-(2-methylpyridin-4-yl)-5,6-dihydrobenzo[f][1,2,4]triShow More⌵

Mol. Formula:
C22H17ClN4O2

M.W.:
404.86

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
62.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4755668

Name:
N-(3,4-dichlorophenyl)-7-(pyridin-4-yl)-2,3-dihydrobenzo[f][1,4]oxazepine-4Show More⌵

Mol. Formula:
C21H17Cl2N3O2

M.W.:
414.29

13 activity values

8 unique targets

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4752684

Name:
10-(2-ethylpyridin-4-yl)-N-(3-(trifluoromethyl)phenyl)-5,6-dihydrobenzo[f][Show More⌵

Mol. Formula:
C24H20F3N5O

M.W.:
451.45

10 activity values

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4751613

Name:
10-(2-methylpyridin-4-yl)-3-(3-(trifluoromethoxy)phenoxy)-5,6-dihydrobenzo[Show More⌵

Mol. Formula:
C23H17F3N4O3

M.W.:
454.41

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
71.29

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4750179

Name:
N-(3-chlorophenyl)-10-(2-methylpyridin-4-yl)-5,6-dihydrobenzo[f][1,2,4]triaShow More⌵

Mol. Formula:
C22H18ClN5O

M.W.:
403.87

10 activity values

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4745208

Name:
(2S)-1-[2,4-dichloro-3-[[2-isopropyl-4-(3-methylimidazol-4-yl)-8-quinolyl]oShow More⌵

Mol. Formula:
C29H31Cl2N5O4S

M.W.:
616.57

61 activity values

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
106.42

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4744842

Name:
3-(3-chlorobenzyl)-10-(2-methylpyridin-4-yl)-5,6-dihydrobenzo[f][1,2,4]triaShow More⌵

Mol. Formula:
C23H19ClN4O

M.W.:
402.89

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
52.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4743615

Name:
10-(2-methylpyridin-4-yl)-3-(2-(trifluoromethoxy)phenoxy)-5,6-dihydrobenzo[Show More⌵

Mol. Formula:
C23H17F3N4O3

M.W.:
454.41

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
71.29

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4742862

Name:
N-(4-((6S,8R)-7-((1-Fluorocyclopropyl)methyl)-8-methyl-6,7,8,9-tetrahydro-3Show More⌵

Mol. Formula:
C28H35F2N5O

M.W.:
495.62

26 activity values

10 unique targets

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
56.42

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4633161

Name:
N-((2S,4R)-2-(5-(1,4-dimethyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)tetraShow More⌵

Mol. Formula:
C21H23F3N6O2

M.W.:
448.45

28 activity values

7 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
88.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4576513

Name:
(7-Chloro-1,6,8-trimethyl-1H-pyrazolo[3',4':4,5]thieno[2,3-b]pyridin-3-yl)-Show More⌵

Mol. Formula:
C16H15ClN4OS

M.W.:
346.84