Compounds

ALA2296910

Name:
4-(3-(4-((pyridin-3-yl)methyl)piperzine-1-yl)propo
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Mol. Formula:
C29H31N3O4

M.W.:
485.58

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
68.04

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2296909

Name:
4-(3-(4-((1H-pyrrol-2-yl)methyl)piperzine-1-yl)pro
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Mol. Formula:
C28H31N3O4

M.W.:
473.57

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
70.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2296908

Name:
4-{3-[4-(4-propoxy-benzyl)-piperizin-1-yl]-propoxy
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Mol. Formula:
C33H38N2O5

M.W.:
542.68

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
64.38

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2296907

Name:
4-{3-[4-(4-methoxy-benzyl)-piperizin-1-yl]-propoxy
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Mol. Formula:
C31H34N2O5

M.W.:
514.62

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
64.38

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2296906

Name:
4-{3-[4-(2,4-fluoro-benzyl)-piperizin-1-yl]-propox
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Mol. Formula:
C30H30F2N2O4

M.W.:
520.58

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
55.15

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2296905

Name:
4-{3-[4-(2,4-dichloro-benzyl)-piperizin-1-yl]-prop
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Mol. Formula:
C30H30Cl2N2O4

M.W.:
553.49

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
55.15

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2296904

Name:
4-{3-[4-(4-bromo-benzyl)-piperizin-1-yl]-propoxy}-
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Mol. Formula:
C30H31BrN2O4

M.W.:
563.49

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
55.15

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2296903

Name:
4-{3-[4-(benzylpiperizin-1-yl]-propoxy}-7-methoxy-
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Mol. Formula:
C30H32N2O4

M.W.:
484.60

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
55.15

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2296613

Name:
2-(1-((5-(3-Bromo-2-methylphenyl)-1,3,4-oxadiazol-
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Mol. Formula:
C21H21BrN6O

M.W.:
453.34

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2296612

Name:
2-(1-((5-(3-Chloro-4-nitrophenyl)-1,3,4-oxadiazol-
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Mol. Formula:
C20H18ClN7O3

M.W.:
439.86

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
116.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2296301

Name:
2-(1-((5-(2,3-Difluorophenyl)-1,3,4-oxadiazol-2-yl
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Mol. Formula:
C20H18F2N6O

M.W.:
396.40

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2296299

Name:
2-((4-(2H-benzo[d][1,2,3]triazol-2-yl)piperidin-1-
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Mol. Formula:
C20H20N6O

M.W.:
360.42

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS