Compounds

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}(methyl)amino)-2H-chromen-Show More⌵

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)piperazin-1-yl]-2-hydroxypropyShow More⌵

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)piperazin-1-yl]-propyl}amino)-2H-Show More⌵

Mol. Formula:
C27H31N5O2

M.W.:
457.58

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
64.85

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4575351

Name:
4-({3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-1-yl]propyl}-amino)-7,8-dihydrShow More⌵

Mol. Formula:
C24H27FN4O2S

M.W.:
454.57

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
61.61

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4574863

Name:
(+/-)-6-Fluoro-4-({3-[4-(3-fluoro-7-methoxyisoquinolin-1-yl)-piperazin-1-ylShow More⌵

Mol. Formula:
C26H26F2N4O4

M.W.:
496.51

38 activity values

16 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
91.07

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4570423

Name:
4-({3-[4-(7-Chloroisoquinolin-1-yl)piperazin-1-yl]propyl}-amino)-2H-chromenShow More⌵

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:
0.34

DETAILS

ALA4569403

Name:
4-({3-[4-(7-Methoxyisoquinolin-1-yl)piperazin-1-yl]propyl}-amino)-2H-chromeShow More⌵

Mol. Formula:
C26H28N4O3

M.W.:
444.54

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
70.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4567626

Name:
6-Chloro-4-({3-[4-(isoquinolin-1-yl)piperazin-1-yl]propyl}-amino)-2H-chromeShow More⌵

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:
0.34

DETAILS

ALA4559061

Name:
4-(Isoquinolin-1-yl)-1-{3-[(2-oxo-2H-chromen-4-yl)amino]propyl}piperazin-2-Show More⌵

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]propyl}-amino)-5,6,7,8-teShow More⌵

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}piperazin-1-yl)isoquinoline-7-Show More⌵

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

ALA4549719

Name:
trans-4-({3-[4-(Isoquinolin-1-yl)piperazin-1-yl]cyclobutyl}amino)-2H-chromeShow More⌵

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

ALA4548671

Name:
4-({3-[4-(Isoquinolin-1-yl)piperazin-1-yl]propyl}amino)-5,6,7,8-tetrahydro-Show More⌵

Mol. Formula:
C25H30N4O2

M.W.:
418.54

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

ALA4544202

Name:
3-[4-(7-Fluoroisoquinolin-1-yl)piperazin-1-yl]-N-(2-oxo-2H-chromen-4-yl)proShow More⌵

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)piperazin-1-yl]-2-hydroxyShow More⌵

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

ALA4538641

Name:
4-({2-[4-(Isoquinolin-1-yl)piperazin-1-yl]ethyl}amino)chromen-2-one

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]propyl}-amino)-2H-chromenShow More⌵

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]propyl}-amino)-2H-chromenShow More⌵

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-1-yl]-2-hydroxypropyl}amiShow More⌵

Mol. Formula:
C25H25FN4O3

M.W.:
448.50