Compounds

ALA5270705

Name:
(S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(((4-methylthiazol-2-yl)oxy)methShow More⌵

Mol. Formula:
C17H20N4O2S

M.W.:
344.44

Type:
---

AlogP:
2.38

Polar Surface Area:
51.89

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5269624

Name:
8-chloro-11-(4-(4-(pyridin-4-yl)butyl)piperazin-1-yl)-5H-dibenzo[b,e][1,4]dShow More⌵

Mol. Formula:
C26H28ClN5

M.W.:
446.00

Type:
---

AlogP:
5.51

Polar Surface Area:
43.76

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268523

Name:
3-(2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl)-8-methoxy-1,2,3,4,4a,10b-hexahydShow More⌵

Mol. Formula:
C23H32N2O3

M.W.:
384.52

Type:
---

AlogP:
3.14

Polar Surface Area:
42.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5277859

Name:
ethyl 4-((1-(4-chlorophenyl)-1H-pyrazol-4-yl)methyl)piperazine-1-carboxylatShow More⌵

Mol. Formula:
C17H21ClN4O2

M.W.:
348.83

Type:
---

AlogP:
2.80

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5272776

Name:
8-chloro-11-(4-(3-phenoxypropyl)piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepiShow More⌵

Mol. Formula:
C26H27ClN4O

M.W.:
446.98

Type:
---

AlogP:
5.56

Polar Surface Area:
40.10

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5283609

Name:
3-(2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexShow More⌵

Mol. Formula:
C24H34N2O4

M.W.:
414.55

Type:
---

AlogP:
3.15

Polar Surface Area:
51.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5283596

Name:
3-(2-(dimethylamino)propyl)-1,2,3,4,4a,10b-hexahydro-5H-chromeno[3,4-c]pyriShow More⌵

Mol. Formula:
C17H24N2O2

M.W.:
288.39

Type:
---

AlogP:
1.96

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5290629

Name:
8-chloro-11-(4-(4-phenylbutyl)piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine

Mol. Formula:
C27H29ClN4

M.W.:
445.01

Type:
---

AlogP:
6.12

Polar Surface Area:
30.87

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5196213

Name:
5-[[4-[[3-(trifluoromethyl)phenyl]methoxy]-1-piperidyl]methyl]-1H-indazole

Mol. Formula:
C21H22F3N3O

M.W.:
389.42

6 activity values

2 unique targets

Type:
---

AlogP:
4.76

Polar Surface Area:
41.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5196102

Name:
2-((4-((4-chloro-3-fluorobenzyl)oxy)piperidin-1-yl)methyl)imidazo[1,2-a]pyrShow More⌵

Mol. Formula:
C20H21ClFN3O

M.W.:
373.86

27 activity values

7 unique targets

Type:
---

AlogP:
4.31

Polar Surface Area:
29.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5209344

Name:
5-((4-((3,4-difluorobenzyl)oxy)piperidin-1-yl)methyl)-1-methyl-1H-indazole

Mol. Formula:
C21H23F2N3O

M.W.:
371.43

28 activity values

8 unique targets

Type:
---

AlogP:
4.03

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5209204

Name:
(S)-3-((3-((6-methylpyridin-2-yl)methoxy)piperidin-1-yl)methyl)imidazo[1,5-Show More⌵

Mol. Formula:
C20H24N4O

M.W.:
336.44

7 activity values

6 unique targets

Type:
---

AlogP:
3.22

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5209079

Name:
(S)-1-((3-((3,4-difluorobenzyl)oxy)piperidin-1-yl)methyl)imidazo[1,5-a]pyriShow More⌵

Mol. Formula:
C20H21F2N3O

M.W.:
357.40

10 activity values

6 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
29.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5208643

Name:
2-[[(3S)-1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]oxymethyl]-6-metShow More⌵

Mol. Formula:
C20H25FN2O2

M.W.:
344.43

6 activity values

5 unique targets

Type:
---

AlogP:
3.72

Polar Surface Area:
34.59

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5208124

Name:
2-((4-((3,4-difluorobenzyl)oxy)piperidin-1-yl)methyl)imidazo[1,2-a]pyridine

Mol. Formula:
C20H21F2N3O

M.W.:
357.40

26 activity values

7 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
29.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5207898

Name:
(S)-1-(3-fluoro-4-methoxybenzyl)-3-((3-fluorobenzyl)oxy)piperidine

Mol. Formula:
C20H23F2NO2

M.W.:
347.41

10 activity values

6 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5206646

Name:
5-((4-((4-chloro-3-fluorobenzyl)oxy)piperidin-1-yl)methyl)-1-methyl-1H-benzShow More⌵

Mol. Formula:
C21H23ClFN3O

M.W.:
387.89

8 activity values

3 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5206427

Name:
3-((4-((4-chloro-3-fluorobenzyl)oxy)piperidin-1-yl)methyl)imidazo[1,5-a]pyrShow More⌵

Mol. Formula:
C20H21ClFN3O

M.W.:
373.86

14 activity values

7 unique targets

Type:
---

AlogP:
4.31

Polar Surface Area:
29.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5205459

Name:
(S)-3-((3-((3-(trifluoromethoxy)benzyl)oxy)piperidin-1-yl)methyl)imidazo[1,Show More⌵

Mol. Formula:
C21H22F3N3O2

M.W.:
405.42

8 activity values

6 unique targets

Type:
---

AlogP:
4.41

Polar Surface Area:
39.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5204764

Name:
N-(3-chloro-2-methylphenyl)-2-(4-((3,4-difluorobenzyl)oxy)piperidin-1-yl)acShow More⌵

Mol. Formula:
C21H23ClF2N2O2

M.W.:
408.88

31 activity values

8 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS