Compounds

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4549719

Name:
trans-4-({3-[4-(Isoquinolin-1-yl)piperazin-1-yl]cy
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Mol. Formula:
C26H26N4O2

M.W.:
426.52

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4559061

Name:
4-(Isoquinolin-1-yl)-1-{3-[(2-oxo-2H-chromen-4-yl)
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Mol. Formula:
C25H24N4O3

M.W.:
428.49

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
78.68

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4557243

Name:
4-({3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C24H28FN5O2

M.W.:
437.52

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
73.64

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4554663

Name:
1-(4-{3-[(2-Oxo-2H-chromen-4-yl)amino]propyl}piper
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Mol. Formula:
C26H25N5O2

M.W.:
439.52

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
85.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4538641

Name:
4-({2-[4-(Isoquinolin-1-yl)piperazin-1-yl]ethyl}am
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Mol. Formula:
C24H24N4O2

M.W.:
400.48

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4538428

Name:
4-({3-[4-(3-Chloroisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C25H25ClN4O2

M.W.:
448.95

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4537564

Name:
4-({3-[4-(3-Fluoroisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C25H25FN4O2

M.W.:
432.50

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4536608

Name:
4-({(2S)-3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-
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Mol. Formula:
C25H25FN4O3

M.W.:
448.50

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
81.84

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4533152

Name:
(+/-)-6-Fluoro-4-({2-hydroxy-3-[4-(1,6-naphthyridi
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Mol. Formula:
C24H24FN5O3

M.W.:
449.49

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
94.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4530941

Name:
4-({3-[4-(3-Methylisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C26H28N4O2

M.W.:
428.54

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4530328

Name:
4-({(2R)-3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-
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Mol. Formula:
C24H24FN5O3

M.W.:
449.49

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
94.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4527338

Name:
4-({3-[4-(7-Methylisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C26H28N4O2

M.W.:
428.54

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4476525

Name:
4-({3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-1-yl]
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Mol. Formula:
C24H27FN4O4S

M.W.:
486.57

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
95.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4544202

Name:
3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-1-yl]-N-(
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Mol. Formula:
C25H23FN4O3

M.W.:
446.48

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
78.68

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4541988

Name:
(+/-)-6-Fluoro-4-({3-[4-(7-fluoroisoquinolin-1-yl)
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Mol. Formula:
C24H23F2N5O3

M.W.:
467.48

37 activity values

16 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
94.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4591085

Name:
1-(4-{3-[(2-Oxo-2H-chromen-4-yl)amino]propyl}piper
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Mol. Formula:
C26H25N5O2

M.W.:
439.52

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
85.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4585210

Name:
4-({3-[4-(Isoquinolin-1-yl)piperazin-1-yl]propyl}(
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Mol. Formula:
C26H28N4O2

M.W.:
428.54

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
52.82

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4583368

Name:
(+/-)-4-({3-[4-(3,7-Difluoroisoquinolin-1-yl)piper
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Mol. Formula:
C24H22F3N5O3

M.W.:
485.47

38 activity values

17 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
94.73

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4583024

Name:
4-({3-[4-(7-Dimethylaminoisoquinolin-1-yl)piperazi
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Mol. Formula:
C27H31N5O2

M.W.:
457.58