Compounds

Type:
Unknown

AlogP:
6.66

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4585110

Name:
1-{4-[1-(7-phenoxyheptyl)piperidin-4-yl]butyl}-1-[4-(trifluoro methyl)-benzShow More⌵

Mol. Formula:
C31H47Cl2F3N4O

M.W.:
619.64

Type:
Unknown

AlogP:
7.31

Polar Surface Area:
65.58

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4583515

Name:
1-(4-(4-(7-phenoxyheptyl)piperazin-1-yl)butyl)-1-(4-(trifluoromethyl)benzylShow More⌵

Mol. Formula:
C30H44F3N5O

M.W.:
547.71

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
68.82

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4583068

Name:
2-Methyl-7-(3-(4-methylpiperazin-1-yl)propoxy)-3,4-dihydroisoquinolin-1(2H)Show More⌵

Mol. Formula:
C18H27N3O2

M.W.:
317.43

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4579190

Name:
1-{4-[4-(7-phenoxyheptyl)piperazin-1-yl]butyl}-3-[4-(trifluoromethyl)-benzyShow More⌵

Mol. Formula:
C30H47Cl3F3N5O

M.W.:
657.09

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
63.62

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4576048

Name:
2-Methyl-7-(2-morpholinoethoxy)-3,4-dihydroisoquinolin-1(2H)-one

Mol. Formula:
C16H22N2O3

M.W.:
290.36

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4570965

Name:
2-Methyl-7-(3-(3-hydroxypyrrolidin-1-yl)propoxy)-3,4-dihydroisoquinolin-1(2Show More⌵

Mol. Formula:
C17H24N2O3

M.W.:
304.39

Type:
Unknown

AlogP:
1.15

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4563108

Name:
2-Methyl-7-(4-morpholinobutoxy)-3,4-dihydroisoquinolin-1(2H)-one

Mol. Formula:
C18H26N2O3

M.W.:
318.42

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4550675

Name:
1-benzyl-1-(7-phenoxyhept-1-yl)guanidine fumarate

Mol. Formula:
C25H33N3O5

M.W.:
455.56

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
62.34

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4546027

Name:
1-{4-[4-(7-phenoxyheptyl)piperidin-1-yl]butyl}-1-(4-(trifluoromethyl)-benzyShow More⌵

Mol. Formula:
C31H47Cl2F3N4O

M.W.:
619.64

Type:
Unknown

AlogP:
7.31

Polar Surface Area:
65.58

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4525456

Name:
2-Methyl-7-(3-(4-ethylpiperazin-1-yl)propoxy)-3,4-dihydroisoquinolin-1(2H)-Show More⌵

Mol. Formula:
C19H29N3O2

M.W.:
331.46

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
36.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4517581

Name:
1-benzyl-3-cyano-1-{4-[4-(7-phenoxyheptyl)piperazin-1-yl]but-1-yl}-guanidinShow More⌵

Mol. Formula:
C30H47Cl3N6O

M.W.:
614.11

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
81.12

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4514561

Name:
1,4-bis{4-[1-(4-trifluoromethylbenzyl)guandin-1-yl]but-1-yl}piperazine tetrShow More⌵

Mol. Formula:
C30H46Cl4F6N8

M.W.:
774.55

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
112.70

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4482871

Name:
1-benzyl-3-{4-[4-(7-phenoxyheptyl)piperazin-1-yl]butyl}-guanidine trihydrocShow More⌵

Mol. Formula:
C29H48Cl3N5O

M.W.:
589.10

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
63.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4474007

Name:
2-Methyl-7-(3-(4-oxopiperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-1(2H)-onShow More⌵

Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4461154

Name:
2-Methyl-7-(3-(2-methylpiperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-1(2H)Show More⌵

Mol. Formula:
C19H28N2O2

M.W.:
316.45

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4459304

Name:
2-Methyl-7-(3-(diethylamino)propoxy)-3,4-dihydroisoquinolin-1(2H)-one

Mol. Formula:
C17H26N2O2

M.W.:
290.41

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4449555

Name:
2-cyano-1-[6-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethylmethylamino]Show More⌵

Mol. Formula:
C39H56N8O2

M.W.:
668.93

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
101.28

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4442619

Name:
2-Ethyl-7-(3-morpholinopropoxy)-3,4-dihydroisoquinolin-1(2H)-one

Mol. Formula:
C18H26N2O3

M.W.:
318.42

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4437732

Name:
2-Methyl-7-(2-hydroxy-3-morpholinopropoxy)-3,4-dihydroisoquinolin-1(2H)-one

Mol. Formula:
C17H24N2O4

M.W.:
320.39