Compounds

ALA4105100

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
86.64

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4101136

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C28H29FN2O5

M.W.:
492.55

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
78.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4099398

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-N-benzyl-Show More⌵

Mol. Formula:
C27H27FN2O4

M.W.:
462.52

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
68.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4098656

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-N-(2,6-diShow More⌵

Mol. Formula:
C29H31FN2O4

M.W.:
490.58

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
68.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4097393

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4091281

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-N-(2,6-diShow More⌵

Mol. Formula:
C27H25F3N2O4

M.W.:
498.50

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
68.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4090923

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-N-(2,6-diShow More⌵

Mol. Formula:
C29H31FN2O6

M.W.:
522.57

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
87.28

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4090144

Name:
N-((1H-Pyrazol-5-yl)methyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methShow More⌵

Mol. Formula:
C24H25FN4O4

M.W.:
452.49

18 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4087244

Name:
N-((1H-Pyrazol-4-yl)methyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methShow More⌵

Mol. Formula:
C24H25FN4O4

M.W.:
452.49

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4084465

Name:
2-(5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoShow More⌵

Mol. Formula:
C28H30FN3O4

M.W.:
491.56

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
81.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4083142

Name:
2-(5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoShow More⌵

Mol. Formula:
C29H31FN2O5

M.W.:
506.57

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
78.05

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4081802

Name:
N-(2-(1H-Pyrazol-4-yl)ethyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)metShow More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4079362

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
86.64

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4077459

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C27H28FN3O4

M.W.:
477.54

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
81.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4077197

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C26H26FN3O4

M.W.:
463.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
81.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4077133

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C21H23FN2O4

M.W.:
386.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
68.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4076529

Name:
N-(2-(1H-Pyrazol-3-yl)ethyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)metShow More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4076131

Name:
5-((3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)piperidin-4-yl)-2-fluoro-Show More⌵

Mol. Formula:
C27H28FN3O4

M.W.:
477.54

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
81.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4075712

Name:
N-(2-(1H-Imidazol-4-yl)ethyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)meShow More⌵

Mol. Formula:
C25H27FN4O4

M.W.:
466.51

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4075475

Name:
N-((1H-Imidazol-2-yl)methyl)-5-((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)metShow More⌵

Mol. Formula:
C24H25FN4O4

M.W.:
452.49

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
97.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS