Compounds

ALA5267200

Name:
(S)-1-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)pyrShow More⌵

Mol. Formula:
C22H26N4O3

M.W.:
394.48

Type:
---

AlogP:
2.17

Polar Surface Area:
58.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5266832

Name:
(S)-1-(3-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C21H28N6O3

M.W.:
412.49

Type:
---

AlogP:
1.22

Polar Surface Area:
75.10

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5265763

Name:
(S)-1-(4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C18H22N6O3S

M.W.:
402.48

Type:
---

AlogP:
1.03

Polar Surface Area:
83.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5280590

Name:
(S)-4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-N-(pyShow More⌵

Mol. Formula:
C19H21N7O2S

M.W.:
411.49

Type:
---

AlogP:
2.03

Polar Surface Area:
88.53

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278802

Name:
(S)-1-(5-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-2HShow More⌵

Mol. Formula:
C20H24N4O3S

M.W.:
400.50

Type:
---

AlogP:
2.23

Polar Surface Area:
58.14

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5277971

Name:
(S)-1-(4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C21H27N5O3S

M.W.:
429.55

Type:
---

AlogP:
2.26

Polar Surface Area:
71.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5276229

Name:
(S)-1-(4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C19H24N6O3S

M.W.:
416.51

Type:
---

AlogP:
1.37

Polar Surface Area:
74.27

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5291230

Name:
(S)-1-(4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C19H23N5O3S

M.W.:
401.49

Type:
---

AlogP:
1.63

Polar Surface Area:
71.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5290877

Name:
(S)-4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-5-metShow More⌵

Mol. Formula:
C17H21N3O3S

M.W.:
347.44

Type:
---

AlogP:
2.11

Polar Surface Area:
47.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5269319

Name:
1-(4-(4-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-1,Show More⌵

Mol. Formula:
C20H25N5O3S

M.W.:
415.52

Type:
---

AlogP:
1.87

Polar Surface Area:
71.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5271461

Name:
(S)-4-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-N,N-dShow More⌵

Mol. Formula:
C18H23N5O3S

M.W.:
389.48

Type:
---

AlogP:
1.20

Polar Surface Area:
71.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5198031

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)imShow More⌵

Mol. Formula:
C17H23N3O3

M.W.:
317.39

10 activity values

5 unique targets

Type:
---

AlogP:
1.32

Polar Surface Area:
54.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5205746

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)pyShow More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

10 activity values

5 unique targets

Type:
---

AlogP:
1.91

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5204741

Name:
3-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-5Show More⌵

Mol. Formula:
C19H25N3O4

M.W.:
359.43

10 activity values

5 unique targets

Type:
---

AlogP:
1.62

Polar Surface Area:
71.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5204477

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-3Show More⌵

Mol. Formula:
C19H27N3O3

M.W.:
345.44

7 activity values

5 unique targets

Type:
---

AlogP:
2.05

Polar Surface Area:
45.25

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5202684

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-4Show More⌵

Mol. Formula:
C23H27N3O3

M.W.:
393.49

7 activity values

5 unique targets

Type:
---

AlogP:
3.06

Polar Surface Area:
54.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5199693

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-1Show More⌵

Mol. Formula:
C21H23N3O2

M.W.:
349.43

11 activity values

6 unique targets

Type:
---

AlogP:
3.51

Polar Surface Area:
39.52

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5208197

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-1Show More⌵

Mol. Formula:
C21H23N3O3

M.W.:
365.43

11 activity values

6 unique targets

Type:
---

AlogP:
2.81

Polar Surface Area:
59.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5194851

Name:
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-5Show More⌵

Mol. Formula:
C18H25N3O3

M.W.:
331.42

6 activity values

5 unique targets

Type:
---

AlogP:
1.70

Polar Surface Area:
54.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5194493

Name:
3-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)imShow More⌵

Mol. Formula:
C17H21N3O4

M.W.:
331.37

10 activity values

5 unique targets

Type:
---

AlogP:
0.84

Polar Surface Area:
71.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS