Compounds

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
85.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3753789

Name:
5-(2-(1-isopropylpiperidin-4-yloxy)pyridin-3-yl)-3-((1,3,5-trimethyl-1H-pyrShow More⌵

Mol. Formula:
C22H30N6O2

M.W.:
410.52

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
82.10

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3754763

Name:
5-(2-(1-ethylpiperidin-4-yloxy)pyridin-3-yl)-3-((1,3,5-trimethyl-1H-pyrazolShow More⌵

Mol. Formula:
C21H28N6O2

M.W.:
396.50

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
82.10

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3754678

Name:
5-(2-(1-methylpiperidin-4-yloxy)pyridin-3-yl)-3-((1,3,5-trimethyl-1H-pyrazoShow More⌵

Mol. Formula:
C20H26N6O2

M.W.:
382.47

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
82.10

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3752766

Name:
5-(2-(piperidin-4-yloxy)pyridin-3-yl)-3-((1,3,5-trimethyl-1H-pyrazol-4-yl)mShow More⌵

Mol. Formula:
C19H24N6O2

M.W.:
368.44

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
90.89

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3753053

Name:
5-(4-chloro-2-(piperidin-4-yloxy)phenyl)-3-(3-methoxybenzyl)-1,2,4-oxadiazoShow More⌵

Mol. Formula:
C21H22ClN3O3

M.W.:
399.88

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
69.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3754641

Name:
5-(4-fluoro-2-(piperidin-4-yloxy)phenyl)-3-(3-methoxybenzyl)-1,2,4-oxadiazoShow More⌵

Mol. Formula:
C21H22FN3O3

M.W.:
383.42

8 activity values

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
69.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3753483

Name:
5-(4-methoxy-2-(piperidin-4-yloxy)phenyl)-3-(3-methoxybenzyl)-1,2,4-oxadiazShow More⌵

Mol. Formula:
C22H25N3O4

M.W.:
395.46

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
78.64

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3753421

Name:
3-(3-methoxybenzyl)-5-(2-(piperidin-4-yloxy)pyridin-3-yl)-1,2,4-oxadiazole

Mol. Formula:
C20H22N4O3

M.W.:
366.42

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
82.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3754110

Name:
3-(3-methoxybenzyl)-5-(2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C21H23N3O3

M.W.:
365.43

16 activity values

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
69.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3753336

Name:
3-benzyl-5-(3-(piperidin-4-yloxy)pyridin-2-yl)-1,2,4-oxadiazole

Mol. Formula:
C19H20N4O2

M.W.:
336.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
73.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3752787

Name:
3-benzyl-5-(2-fluoro-6-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C20H20FN3O2

M.W.:
353.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3754615

Name:
3-benzyl-5-(5-chloro-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C20H20ClN3O2

M.W.:
369.85

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3753269

Name:
3-benzyl-5-(5-fluoro-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C20H20FN3O2

M.W.:
353.40

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3754003

Name:
3-benzyl-5-(5-methoxy-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C21H23N3O3

M.W.:
365.43

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
69.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3754410

Name:
3-benzyl-5-(5-methyl-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C21H23N3O2

M.W.:
349.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3753299

Name:
3-benzyl-5-(4-chloro-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C20H20ClN3O2

M.W.:
369.85

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3753135

Name:
3-benzyl-5-(4-fluoro-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C20H20FN3O2

M.W.:
353.40

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3754427

Name:
3-benzyl-5-(4-methoxy-2-(piperidin-4-yloxy)phenyl)-1,2,4-oxadiazole

Mol. Formula:
C21H23N3O3

M.W.:
365.43

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
69.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3237441

Name:
2-(3-(Piperidin-4-yloxy)benzo[b]thiophen-2-yl)-5-(2-(1,3,5-trimethyl-1H-pyrShow More⌵

Mol. Formula:
C23H27N5O2S

M.W.:
437.57

4 activity values