Compounds

Type:
---

AlogP:
2.93

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5196430

Name:
N-cyclohexyl-4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)but-2-enamide

Mol. Formula:
C21H26N2O4

M.W.:
370.45

Type:
---

AlogP:
3.02

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5207762

Name:
4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)-N-phenylbut-2-enamide

Mol. Formula:
C21H20N2O4

M.W.:
364.40

Type:
---

AlogP:
3.21

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5195299

Name:
N-benzyl-4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)but-2-enamide

Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
---

AlogP:
2.89

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5192242

Name:
N-butyl-4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)but-2-enamide

Mol. Formula:
C19H24N2O4

M.W.:
344.41

Type:
---

AlogP:
2.49

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5182929

Name:
N-benzyl-3-(2-oxopyridin-1(2H)-yl)propanamide

Mol. Formula:
C15H16N2O2

M.W.:
256.30

1 activity values

1 unique targets

Type:
---

AlogP:
1.55

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5182479

Name:
4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)-N-isopentylbut-2-enamide

Mol. Formula:
C20H26N2O4

M.W.:
358.44

7 activity values

Type:
---

AlogP:
2.74

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5172870

Name:
4-(6,7-dimethoxy-1-oxoisoquinolin-2(1H)-yl)-N-(3-phenylpropyl)but-2-enamide

Mol. Formula:
C24H26N2O4

M.W.:
406.48

Type:
---

AlogP:
3.32

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4588752

Name:
Benzyl ((S)-1-(((S)-1-(benzylamino)-4-methyl-1,2-dioxopentan-3-yl)amino)-4-Show More⌵

Mol. Formula:
C27H35N3O5

M.W.:
481.59

5 activity values

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4587250

Name:
Benzyl ((S)-1-(((S)-1-(((S)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methyl-1,Show More⌵

Mol. Formula:
C36H50N4O6

M.W.:
634.82

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
133.91

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4585003

Name:
Benzyl ((2S)-1-(((2S)-4-(benzylamino)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobuShow More⌵

Mol. Formula:
C31H37N3O6

M.W.:
547.65

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
136.99

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4584892

Name:
Benzyl ((S)-1-(((S)-1-(((S)-1-(isobutylamino)-5-methyl-1,2-dioxohexan-3-yl)Show More⌵

Mol. Formula:
C31H50N4O6

M.W.:
574.76

12 activity values

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
142.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4570264

Name:
benzyl (2S)-1-((2S)-1-((3S)-1-(benzylamino)-2-hydroxy-5-methyl-1-oxohexan-3Show More⌵

Mol. Formula:
C34H50N4O6

M.W.:
610.80

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
145.86

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4567259

Name:
Benzyl ((2S)-1-(((3S)-5-amino-1-(benzylamino)-2-hydroxy-1,5-dioxopentan-3-yShow More⌵

Mol. Formula:
C26H34N4O6

M.W.:
498.58

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
159.85

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4558015

Name:
Benzyl ((2S)-1-(((3S)-1-(benzylamino)-2-hydroxy-4-methyl-1-oxopentan-3-yl)aShow More⌵

Mol. Formula:
C27H37N3O5

M.W.:
483.61

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
116.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4556452

Name:
benzyl (S)-1-((S)-1-((S)-1-(benzylamino)-5-methyl-1,2-dioxohexan-3-ylamino)Show More⌵

Mol. Formula:
C34H48N4O6

M.W.:
608.78

4 activity values

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
142.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4552637

Name:
Benzyl ((2S)-1-(((2S)-1-(((3S)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxShow More⌵

Mol. Formula:
C36H52N4O6

M.W.:
636.83

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
137.07

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4551724

Name:
Benzyl ((S)-1-(((S)-4-(benzylamino)-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-ylShow More⌵

Mol. Formula:
C31H35N3O6

M.W.:
545.64

4 activity values

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
133.83

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4551392

Name:
Benzyl ((2S)-1-(((2S)-1-(((3S)-2-hydroxy-1-(isobutylamino)-5-methyl-1-oxoheShow More⌵

Mol. Formula:
C31H52N4O6

M.W.:
576.78