Compounds

ALA5282048

Name:
(3aR,5S,6R,6aR)-2,2-dimethyl-5-((7-((1,2,3,4-tetrahydroacridin-9-yl)amino)hShow More⌵

Mol. Formula:
C27H39N3O4

M.W.:
469.63

Type:
---

AlogP:
4.26

Polar Surface Area:
84.87

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5280820

Name:
1-ethyl-3-(6-(5-((prop-2-yn-1-ylamino)methyl)-1H-benzo[d]imidazol-1-yl)pyriShow More⌵

Mol. Formula:
C18H19N7S

M.W.:
365.47

Type:
---

AlogP:
1.84

Polar Surface Area:
79.69

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5288285

Name:
(3aR,5R,6S,6aR)-2,2-dimethyl-5-(((11-((1,2,3,4-tetrahydroacridin-9-yl)aminoShow More⌵

Mol. Formula:
C32H49N3O4

M.W.:
539.76

Type:
---

AlogP:
5.86

Polar Surface Area:
84.87

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5285687

Name:
N1-(((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxolShow More⌵

Mol. Formula:
C32H49N3O4

M.W.:
539.76

Type:
---

AlogP:
6.13

Polar Surface Area:
73.87

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5272055

Name:
N1-(1,2,3,4-tetrahydroacridin-9-yl)-N10-(((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetrShow More⌵

Mol. Formula:
C35H53N3O5

M.W.:
595.83

Type:
---

AlogP:
6.63

Polar Surface Area:
83.10

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5198028

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

Mol. Formula:
C24H30FNO4S

M.W.:
447.57

1 activity values

1 unique targets

Type:
---

AlogP:
4.11

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5197334

Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-6,7-dimethoxythiochromane 1,1-dioShow More⌵

Mol. Formula:
C24H29NO4S

M.W.:
427.57

1 activity values

1 unique targets

Type:
---

AlogP:
4.22

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5205085

Name:
2-((1-(3-Chloro-4-fluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxShow More⌵

Mol. Formula:
C23H26ClF2NO4S

M.W.:
485.98

1 activity values

1 unique targets

Type:
---

AlogP:
4.59

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5204649

Name:
2-((1-Benzyl-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzo[Show More⌵

Mol. Formula:
C23H28FNO4S

M.W.:
433.55

1 activity values

1 unique targets

Type:
---

AlogP:
3.80

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5204001

Name:
2-((1-(2,4-difluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3Show More⌵

Mol. Formula:
C23H26F3NO4S

M.W.:
469.53

1 activity values

1 unique targets

Type:
---

AlogP:
4.07

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5202413

Name:
2-((1-benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzo[b]thiopheShow More⌵

Mol. Formula:
C23H29NO4S

M.W.:
415.56

1 activity values

1 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5201084

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

Mol. Formula:
C23H27F2NO4S

M.W.:
451.54

1 activity values

1 unique targets

Type:
---

AlogP:
3.94

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5200196

Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydrobenzo[b]Show More⌵

Mol. Formula:
C23H27NO4S

M.W.:
413.54

1 activity values

1 unique targets

Type:
---

AlogP:
3.83

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5199752

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

Mol. Formula:
C23H27F2NO4S

M.W.:
451.54

1 activity values

1 unique targets

Type:
---

AlogP:
3.94

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5199093

Name:
(E)-2-((1-benzylpiperidin-4-yl)methylene)-7,8-dimethoxy-2,3,4,5-tetrahydrobShow More⌵

Mol. Formula:
C25H31NO4S

M.W.:
441.59

1 activity values

1 unique targets

Type:
---

AlogP:
4.61

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5209880

Name:
(E)-1-benzyl-4(2-((3,4-dimethoxyphenyl)sulfonyl)vinyl)piperidine

Mol. Formula:
C22H27NO4S

M.W.:
401.53

1 activity values

1 unique targets

Type:
---

AlogP:
3.90

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5208030

Name:
(Z)-1-benzyl-4(2-chloro-2-((3,4-dimethoxyphenyl)sulfonyl)vinyl)piperidine

Mol. Formula:
C22H26ClNO4S

M.W.:
435.97

1 activity values

1 unique targets

Type:
---

AlogP:
4.47

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5206971

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

Mol. Formula:
C23H27ClFNO4S

M.W.:
467.99

1 activity values

1 unique targets

Type:
---

AlogP:
4.45

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5193449

Name:
2-((4-Fluoro-1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)methyl)-5,6-dimethShow More⌵

Mol. Formula:
C24H27F4NO4S

M.W.:
501.54

1 activity values

1 unique targets

Type:
---

AlogP:
4.82

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5190674

Name:
2-((1-(3-Fluorobenzyl)piperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydrobenzoShow More⌵

Mol. Formula:
C23H28FNO4S

M.W.:
433.55

1 activity values

1 unique targets

Type:
---

AlogP:
3.84

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS