Compounds

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
61.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4875453

Name:
5-(1H-indol-3-yl)-1-methyl-1H-benzo[d][1,2,3]triaz
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Mol. Formula:
C15H13N5

M.W.:
263.30

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
72.52

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4875368

Name:
2-(6-(1H-indol-3-yl)-1H-benzo[d][1,2,3]triazol-1-y
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Mol. Formula:
C16H13N5O

M.W.:
291.31

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4874421

Name:
6-(1H-indol-3-yl)-1-((tetrahydrofuran-2-yl)methyl)
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Mol. Formula:
C19H18N4O

M.W.:
318.38

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
55.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4873980

Name:
5-(1H-indol-3-yl)-1-((tetrahydrofuran-2-yl)methyl)
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Mol. Formula:
C19H18N4O

M.W.:
318.38

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
55.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4871568

Name:
6-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)-1H-benz
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Mol. Formula:
C16H11F3N4

M.W.:
316.29

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
46.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4871428

Name:
5-(1H-indol-3-yl)-1-((tetrahydrofuran-3-yl)methyl)
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Mol. Formula:
C19H18N4O

M.W.:
318.38

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
55.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4870875

Name:
3-(6-(1H-indol-3-yl)-1H-benzo[d][1,2,3]triazol-1-y
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Mol. Formula:
C17H16N4O2

M.W.:
308.34

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
86.96

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4870770

Name:
4-(2-(6-(1H-indol-3-yl)-1H-benzotriazol-1-yl)ethyl
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Mol. Formula:
C20H21N5O

M.W.:
347.42

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
58.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4870450

Name:
2-(5-(1H-indol-3-yl)-1H-benzo[d][1,2,3]triazol-1-y
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Mol. Formula:
C18H19N5

M.W.:
305.39

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
49.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4868822

Name:
1-(cyclopropylmethyl)-5-(1H-indol-3-yl)-1H-benzo[d
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Mol. Formula:
C18H16N4

M.W.:
288.35

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
46.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4867529

Name:
2-(5-(1H-indol-3-yl)-1H-benzo[d][1,2,3]triazol-1-y
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Mol. Formula:
C16H13N5O

M.W.:
291.31

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4864828

Name:
6-(1H-indol-3-yl)-1-((tetrahydrofuran-3-yl)methyl)
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Mol. Formula:
C19H18N4O

M.W.:
318.38

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
55.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4863714

Name:
5-(1H-indol-3-yl)-1-methyl-1H-benzo[d][1,2,3]triaz
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Mol. Formula:
C15H12N4

M.W.:
248.29

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
46.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4863469

Name:
6-(1H-indol-3-yl)-3,4-dihydroquinazolin-2(1H)-one

Mol. Formula:
C16H15N3O

M.W.:
265.32

5 activity values

3 unique targets

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
56.92

HBA:
1

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4863211

Name:
6-(1H-indol-3-yl)-1-(2-(piperazin-1-yl)ethyl)-1H-b
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Mol. Formula:
C20H22N6

M.W.:
346.44

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
61.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4863129

Name:
5-(1H-indol-3-yl)-1-methyl-4-nitro-1H-benzo[d][1,2
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Mol. Formula:
C14H9N5O2

M.W.:
279.26

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
100.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4858952

Name:
2-(6-(1H-indol-3-yl)-1H-benzo[d][1,2,3]triazol-1-y
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Mol. Formula:
C18H19N5

M.W.:
305.39

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
49.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4858642

Name:
5-(1H-indol-3-yl)-2-methyl-2H-benzo[d][1,2,3]triaz
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Mol. Formula:
C14H11N5

M.W.:
249.28

4 activity values