Compounds

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4514438

Name:
(4-Methoxy-2-methylphenyl)(4-(2-(pyridin-3-yloxy)e
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Mol. Formula:
C20H25N3O3

M.W.:
355.44

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
54.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4514100

Name:
3-(2-Methoxyphenyl)-9-(2-((4-methyl-5-phenyl-4H-1,
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Mol. Formula:
C27H35N5OS

M.W.:
477.68

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
46.42

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4513935

Name:
(4-Chlorophenyl)(4-(2-(4-methoxyphenoxy)ethyl)pipe
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Mol. Formula:
C20H23ClN2O3

M.W.:
374.87

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4483472

Name:
2-Butyl-7-(2-methoxyphenyl)-2,7-diazaspiro[4.4]non
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Mol. Formula:
C18H28N2O

M.W.:
288.44

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4483044

Name:
3-(2,4-Dimethoxyphenyl)-9-(3-((4-methyl-5-phenyl-4
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Mol. Formula:
C29H39N5O2S

M.W.:
521.73

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
55.65

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4476784

Name:
(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piper
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Cas Number:
1386162-69-1

Mol. Formula:
C22H25N3O3

M.W.:
379.46

158 activity values

50 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4476605

Name:
N-(4-(4-(2-trifluoromethylphenyl)piperazin-1-yl)bu
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Mol. Formula:
C26H28F3N3OS

M.W.:
487.59

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
35.58

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4476163

Name:
8-(2-Methoxyphenyl)-2-(3-((4-methyl-5-phenyl-4H-1,
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Mol. Formula:
C27H35N5OS

M.W.:
477.68

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
46.42

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4475482

Name:
3-(2-Ethoxyphenyl)-9-(3-((4-methyl-5-phenyl-4H-1,2
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Mol. Formula:
C29H39N5OS

M.W.:
505.73

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
46.42

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4474673

Name:
(4-(2-(4-Methoxyphenoxy)ethyl)piperazin-1-yl)(pyri
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Mol. Formula:
C19H23N3O3

M.W.:
341.41

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
54.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4474192

Name:
(4-Chloro-1H-indol-2-yl)(4-(2-(4-methoxyphenoxy)et
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Mol. Formula:
C22H24ClN3O3

M.W.:
413.91

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4540693

Name:
(6-Methoxy-1H-indol-2-yl)(4-(2-(4-methoxyphenoxy)e
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Mol. Formula:
C23H27N3O4

M.W.:
409.49

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
67.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4538239

Name:
(1H-Indazol-3-yl)(4-(2-(pyridin-3-yloxy)ethyl)pipe
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Mol. Formula:
C19H21N5O2

M.W.:
351.41

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
74.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4538010

Name:
(1H-Indol-2-yl)(4-(2-(pyridin-3-yloxy)ethyl)pipera
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Mol. Formula:
C20H22N4O2

M.W.:
350.42

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
61.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4525545

Name:
(4-(2-(Pyridin-3-yloxy)ethyl)piperazin-1-yl)(1H-py
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Mol. Formula:
C16H20N4O2

M.W.:
300.36

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
61.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4522768

Name:
(1H-Indol-2-yl)(4-(2-(pyridin-2-yloxy)ethyl)pipera
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Mol. Formula:
C20H22N4O2

M.W.:
350.42

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
61.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4522471

Name:
Rac-(4-(2-(4-Chlorophenoxy)propyl)piperazin-1-yl)(
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Mol. Formula:
C22H24ClN3O2

M.W.:
397.91