Compounds

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
137.12

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4294201

Name:
(Z)-2-(1H-indol-3-yl)-3-(2,7-naphthyridin-4-yl)acrylonitrile

Mol. Formula:
C19H12N4

M.W.:
296.33

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4294182

Name:
(Z)-2-(5-bromo-1H-indol-3-yl)-3-(isoquinolin-5-yl)acrylonitrile

Mol. Formula:
C20H12BrN3

M.W.:
374.24

6 activity values

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4294005

Name:
(Z)-3-(isoquinolin-5-yl)-2-(6-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl)acrylonShow More⌵

Mol. Formula:
C25H22N4

M.W.:
378.48

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
55.71

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4293511

Name:
(Z)-2-(7-bromo-1H-indol-3-yl)-3-(isoquinolin-5-yl)acrylonitrile

Mol. Formula:
C20H12BrN3

M.W.:
374.24

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4292311

Name:
(Z)-2-(1H-indol-3-yl)-3-(quinolin-5-yl)acrylonitrile

Mol. Formula:
C20H13N3

M.W.:
295.35

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4292290

Name:
(Z)-2-(4-bromo-1H-indol-3-yl)-3-(isoquinolin-5-yl)acrylonitrile

Mol. Formula:
C20H12BrN3

M.W.:
374.24

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4292084

Name:
(Z)-2-(5-(3-(pyrrolidin-1-yl)propoxy)-1H-indol-3-yl)-3-(isoquinolin-5-yl)acShow More⌵

Mol. Formula:
C27H26N4O

M.W.:
422.53

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
64.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4291892

Name:
(Z)-2-(1H-indol-3-yl)-3-(isoquinolin-8-yl)acrylonitrile

Mol. Formula:
C20H13N3

M.W.:
295.35

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4291870

Name:
(Z)-2-(1H-indol-3-yl)-3-(isoquinolin-5-yl)acrylamide

Mol. Formula:
C20H15N3O

M.W.:
313.36

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
71.77

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4290124

Name:
(Z)-3-(isoquinolin-5-yl)-2-(1-methyl-1H-indol-3-yl)acrylonitrile

Mol. Formula:
C21H15N3

M.W.:
309.37

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
41.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4288664

Name:
(Z)-3-(isoquinolin-5-yl)-2-(6-methoxy-1H-indol-3-yl)acrylonitrile

Mol. Formula:
C21H15N3O

M.W.:
325.37

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
61.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4288450

Name:
5-((E)-2-(1H-indol-3-yl)vinyl)isoquinoline

Mol. Formula:
C19H14N2

M.W.:
270.33

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4288270

Name:
N-(3-((Z)-1-cyano-2-(isoquinolin-5-yl)vinyl)-1H-indol-5-yl)acetamide

Mol. Formula:
C22H16N4O

M.W.:
352.40

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
81.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4286694

Name:
(Z)-3-(isoquinolin-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylonitrile

Mol. Formula:
C19H12N4

M.W.:
296.33

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4285667

Name:
(Z)-3-(isoquinolin-5-yl)-2-(7-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl)acrylonShow More⌵

Mol. Formula:
C25H22N4

M.W.:
378.48

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
55.71

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4285112

Name:
(Z)-2-(1H-indol-3-yl)-3-(isoquinolin-4-yl)acrylonitrile

Mol. Formula:
C20H13N3

M.W.:
295.35

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
52.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4285084

Name:
(Z)-3-(isoquinolin-5-yl)-2-(5-methoxy-1H-indol-3-yl)acrylonitrile

Mol. Formula:
C21H15N3O

M.W.:
325.37

6 activity values

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
61.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4284881

Name:
(Z)-2-(5-(2-(1,3-dioxolan-2-yl)ethoxy)-1H-indol-3-yl)-3-(isoquinolin-5-yl)aShow More⌵

Mol. Formula:
C25H21N3O3

M.W.:
411.46

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
80.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4284012

Name:
2-(1H-indol-3-yl)-3-(isoquinolin-5-yl)propanenitrile

Mol. Formula:
C20H15N3

M.W.:
297.36

3 activity values