Compounds

ALA4567314

Name:
1-benzyl-4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C21H23BrN4

M.W.:
411.35

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4547311

Name:
4-((4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)piperidin-1-yl)methyl)anilShow More⌵

Mol. Formula:
C22H27N5O

M.W.:
377.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
69.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4547253

Name:
4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)-1-(4-fluorobenzyl)piperidine

Mol. Formula:
C21H22BrFN4

M.W.:
429.34

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4542529

Name:
1-(4-fluorobenzyl)-4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C22H25FN4O

M.W.:
380.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4529147

Name:
4-((4-(4-benzyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl)methyl)aniline

Mol. Formula:
C21H25N5

M.W.:
347.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
59.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4520259

Name:
4-((4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)piperidin-1-yl)methyl)benzoiShow More⌵

Mol. Formula:
C22H23BrN4O2

M.W.:
455.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
71.25

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4474390

Name:
1-(4-methoxybenzyl)-4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C23H28N4O2

M.W.:
392.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
52.41

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4473476

Name:
4-(4-(4-ethynylbenzyl)-1H-1,2,3-triazol-1-yl)-1-(4-nitrobenzyl)piperidine

Mol. Formula:
C23H23N5O2

M.W.:
401.47

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
77.09

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4471886

Name:
1-benzyl-4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C22H26N4O

M.W.:
362.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4463131

Name:
4-(4-benzyl-1H-1,2,3-triazol-1-yl)-1-(4-fluorobenzyl)piperidine

Mol. Formula:
C21H23FN4

M.W.:
350.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4459824

Name:
methyl 4-((4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)piperidin-1-yl)methylShow More⌵

Mol. Formula:
C23H25BrN4O2

M.W.:
469.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
60.25

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4459686

Name:
4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)-1-(4-methoxybenzyl)piperidine

Mol. Formula:
C22H25BrN4O

M.W.:
441.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4455053

Name:
1-(4-bromobenzyl)-4-(4-(4-methoxybenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C22H25BrN4O

M.W.:
441.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4454347

Name:
4-(4-(4-iodobenzyl)-1H-1,2,3-triazol-1-yl)-1-(4-nitrobenzyl)piperidine

Mol. Formula:
C21H22IN5O2

M.W.:
503.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
77.09

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4453870

Name:
4-(4-benzyl-1H-1,2,3-triazol-1-yl)-1-(4-methoxybenzyl)piperidine

Mol. Formula:
C22H26N4O

M.W.:
362.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4453499

Name:
1-(4-bromobenzyl)-4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)piperidine

Mol. Formula:
C21H22Br2N4

M.W.:
490.24

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.23

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4451653

Name:
4-(4-benzyl-1H-1,2,3-triazol-1-yl)-1-(4-bromobenzyl)piperidine

Mol. Formula:
C21H23BrN4

M.W.:
411.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
33.95

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4444356

Name:
4-((4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)piperidin-1-yl)methyl)anilinShow More⌵

Mol. Formula:
C21H24BrN5

M.W.:
426.36

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
59.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4437995

Name:
4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)-1-(2-nitrobenzyl)piperidine

Mol. Formula:
C21H22BrN5O2

M.W.:
456.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
77.09

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4437286

Name:
4-(4-(4-bromobenzyl)-1H-1,2,3-triazol-1-yl)-1-(3-nitrobenzyl)piperidine

Mol. Formula:
C21H22BrN5O2

M.W.:
456.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
77.09

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS