Compounds

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA241877

Name:
(S)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorop
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Mol. Formula:
C25H30FN3O

M.W.:
407.53

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA244884

Name:
6-(2-chlorophenyl)-2-isopropyl-3-(((R)-1-isopropyl
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Mol. Formula:
C26H32ClN3O

M.W.:
438.02

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA244882

Name:
6-(2-chlorophenyl)-2-isopropyl-3-(((S)-1-isopropyl
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Mol. Formula:
C26H32ClN3O

M.W.:
438.02

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA396557

Name:
(R)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-
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Mol. Formula:
C24H26F3N3O2

M.W.:
445.49

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA244667

Name:
(S)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-
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Mol. Formula:
C24H26F3N3O2

M.W.:
445.49

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA266907

Name:
(R)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3
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Mol. Formula:
C30H32FN3O2

M.W.:
485.60

Type:
Small molecule

AlogP:
6.42

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA244250

Name:
(R)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)m
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Mol. Formula:
C29H27ClF3N3O

M.W.:
526.00

Type:
Small molecule

AlogP:
7.13

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA244662

Name:
(S)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)m
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Mol. Formula:
C29H27ClF3N3O

M.W.:
526.00

Type:
Small molecule

AlogP:
7.13

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA390274

Name:
6-(butyl(methyl)amino)-2-(2-methoxyphenyl)-3-(pipe
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Mol. Formula:
C26H34N4O2

M.W.:
434.58

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
59.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA243703

Name:
6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3
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Mol. Formula:
C23H26FN3O2

M.W.:
395.48

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA243001

Name:
6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-
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Cas Number:
875258-85-8

Mol. Formula:
C24H28FN3O2

M.W.:
409.51

43 activity values

19 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA242566

Name:
6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip
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Mol. Formula:
C26H32FN3O2

M.W.:
437.56

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA242564

Name:
6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-
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Mol. Formula:
C30H32FN3O2

M.W.:
485.60

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.42

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA245128

Name:
6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m
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Mol. Formula:
C23H26ClN3O

M.W.:
395.93

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA244936

Name:
6-(4-chlorophenyl)-3-{[(3S)-1-isopropylpiperidin-3
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Mol. Formula:
C24H28ClN3O

M.W.:
409.96

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA243468

Name:
6-(4-chlorophenyl)-2-isopropyl-3-{[(3S)-1-isopropy
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Mol. Formula:
C26H32ClN3O

M.W.:
438.02