Compounds

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4092501

Name:
N1-(2-(6H-indolo[2,3-b]quinoxalin-6-yl)ethyl)-N2,N
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Mol. Formula:
C20H23N5

M.W.:
333.44

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
45.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4090061

Name:
N-(3-(dimethylamino)propyl)-2-(6H-indolo[2,3-b]qui
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Mol. Formula:
C21H23N5O

M.W.:
361.45

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4087176

Name:
9-methoxy-6-(2-(piperidin-1-yl)ethyl)-6H-indolo[2,
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Mol. Formula:
C22H24N4O

M.W.:
360.46

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
43.18

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4087137

Name:
N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-(
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Mol. Formula:
C20H21N3O3

M.W.:
351.41

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4086523

Name:
N-(2-(dimethylamino)ethyl)-4-(6H-indolo[2,3-b]quin
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Mol. Formula:
C22H25N5O

M.W.:
375.48

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4084035

Name:
4-(6H-indolo[2,3-b]quinoxalin-6-yl)-N-(3-morpholin
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Mol. Formula:
C25H29N5O2

M.W.:
431.54

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
72.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4082986

Name:
N1-(2-(6H-indolo[2,3-b]quinoxalin-6-yl)ethyl)-N3,N
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Mol. Formula:
C23H29N5

M.W.:
375.52

15 activity values

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
45.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4082232

Name:
N1-(2-(6H-indolo[2,3-b]quinoxalin-6-yl)ethyl)-N2,N
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Mol. Formula:
C22H27N5

M.W.:
361.49

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
45.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4082211

Name:
N-(3-(diethylamino)propyl)-2-(6H-indolo[2,3-b]quin
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Mol. Formula:
C23H27N5O

M.W.:
389.50

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4068419

Name:
N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-(
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Mol. Formula:
C19H20N4O3

M.W.:
352.39

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
72.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4068324

Name:
4-(6H-indolo[2,3-b]quinoxalin-6-yl)-N-(2-(piperidi
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Mol. Formula:
C25H29N5O

M.W.:
415.54

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4067979

Name:
2-(2-(4-methylpiperazin-1-yl)ethyl)-1H-benzo[de]is
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Mol. Formula:
C19H21N3O2

M.W.:
323.40

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
43.86

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4067214

Name:
2-(2-(butyl(2-hydroxyethyl)amino)ethyl)-1H-benzo[d
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Mol. Formula:
C20H24N2O3

M.W.:
340.42

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
60.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4066627

Name:
methyl 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(
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Mol. Formula:
C19H20N2O4

M.W.:
340.38

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
66.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4065310

Name:
9-methyl-6-(2-(4-methylpiperazin-1-yl)ethyl)-6H-in
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Mol. Formula:
C22H25N5

M.W.:
359.48

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
37.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4065082

Name:
N-(3-(dimethylamino)propyl)-4-(6H-indolo[2,3-b]qui
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Mol. Formula:
C23H27N5O

M.W.:
389.50

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4085899

Name:
N-(2-(dimethylamino)ethyl)-2-(6H-indolo[2,3-b]quin
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Mol. Formula:
C20H21N5O

M.W.:
347.42

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4084987

Name:
2-2-[Ethyl-(2-hydroxy-ethyl)-amino]-ethyl-benzo[de
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Mol. Formula:
C18H20N2O3

M.W.:
312.37

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
60.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4084405

Name:
2-(2-((2-hydroxyethyl)(methyl)amino)ethyl)-1H-benz
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Mol. Formula:
C17H18N2O3

M.W.:
298.34