Compounds

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
74.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3719486

Name:
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1
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Mol. Formula:
C21H22Cl2N6

M.W.:
429.36

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
57.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3719475

Name:
3-(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-y
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Mol. Formula:
C23H22N6O

M.W.:
398.47

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
94.80

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3719439

Name:
N-cyclopropyl-3-(4-(2-fluoro-4-methoxyphenoxy)pipe
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Mol. Formula:
C21H23FN6O2

M.W.:
410.45

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
85.29

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3719434

Name:
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1
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Mol. Formula:
C22H23Cl2N5

M.W.:
428.37

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
44.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3719424

Name:
N-cyclopropyl-3-(4-(3-methylbenzyl)piperazin-1-yl)
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Mol. Formula:
C23H27N5

M.W.:
373.50

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
44.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3719416

Name:
3-(4-(5-chloro-2-fluorobenzyl)piperazin-1-yl)-N-cy
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Mol. Formula:
C21H22ClFN6

M.W.:
412.90

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
57.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3719411

Name:
N-cyclopropyl-2-(4-(2,5-dichlorobenzyl)piperazin-1
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Mol. Formula:
C21H22Cl2N6

M.W.:
429.36

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
57.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3719410

Name:
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1
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Mol. Formula:
C23H25Cl2N5O

M.W.:
458.39

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
53.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3719408

Name:
(R)-azetidin-1-yl(2-(cyclopropylamino)-3-(4-((2,4-
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Mol. Formula:
C26H27F3N6O

M.W.:
496.54

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
74.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3719402

Name:
(R)-2-(cyclopropylamino)-3-(4-((2,4-difluorophenyl
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Mol. Formula:
C23H21F3N6

M.W.:
438.46

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
77.73

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3716194

Name:
(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-
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Mol. Formula:
C24H22Cl2F3N5O3

M.W.:
556.37

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
61.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3716604

Name:
(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-
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Mol. Formula:
C24H22Cl2F3N5O3

M.W.:
556.37

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
61.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3716133

Name:
(4-(3-(cyclopropylamino)quinoxalin-2-yl)piperazin-
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Mol. Formula:
C25H26F3N5O5S

M.W.:
565.57

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
95.50

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3718447

Name:
3-(4-(2-fluoro-4-(fluoromethoxy)phenoxy)piperidin-
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Mol. Formula:
C23H25F5N6O4

M.W.:
544.48

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
85.29

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3718817

Name:
N-cyclopropyl-3-(4-(4-fluorophenylsulfonyl)piperid
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Mol. Formula:
C24H25F4N5O4S

M.W.:
555.55

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
88.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3717678

Name:
N-isopropyl-3-(4-(3-methoxybenzyl)piperazin-1-yl)p
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Mol. Formula:
C23H28F3N7O3

M.W.:
507.52

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
79.30

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3718978

Name:
3-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-N-i
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Mol. Formula:
C22H23ClF4N6O3

M.W.:
530.91

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
76.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3718345

Name:
3-fluoro-4-(1-(3-(isopropylamino)pyrazino[2,3-d]py
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Mol. Formula:
C23H23F4N7O3

M.W.:
521.48