Compounds

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
88.33

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4877908

Name:
N-(4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-yloxy)-ph
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Mol. Formula:
C22H16ClN5O4S

M.W.:
481.92

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4877679

Name:
5-Chloro-N-(4-((7,8-difluoro-1-propyl-[1,2,4]triaz
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Mol. Formula:
C25H20ClF2N5O4S

M.W.:
559.98

8 activity values

5 unique targets

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4877290

Name:
N-(4-((1-Ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-
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Mol. Formula:
C25H23N5O3S

M.W.:
473.56

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4876728

Name:
N-(4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-yloxy)phe
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Mol. Formula:
C22H17N5O3S

M.W.:
431.48

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4875031

Name:
N-[3-(1,1-Dioxo-1lambda^6-isothiazolidin-2-yl)-phe
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Cas Number:
946337-91-3

Mol. Formula:
C17H20N2O5S2

M.W.:
396.49

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4874714

Name:
2,5-Dimethyl-N-(4-((1-propyl-[1,2,4]triazolo[4,3-a
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Mol. Formula:
C26H25N5O3S

M.W.:
487.59

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4874369

Name:
5-chloro-2-methoxy-N-(2-(methylthio)benzo[d]thiazo
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Mol. Formula:
C15H13ClN2O3S3

M.W.:
400.93

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
68.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4872678

Name:
N-(4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-yloxy)phe
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Mol. Formula:
C21H14ClN5O3S

M.W.:
451.90

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4871240

Name:
N-(4-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)p
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Mol. Formula:
C22H17ClN6O3S

M.W.:
480.94

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
110.51

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4867965

Name:
5-Chloro-N-[4-(1-ethyl-7,8-dimethyl-[1,2,4]triazol
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Mol. Formula:
C26H24ClN5O4S

M.W.:
538.03

Type:
Unknown

AlogP:
5.71

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4867277

Name:
5-Chloro-N-[4-(7,8-dichloro-[1,2,4]triazolo[4,3-a]
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Mol. Formula:
C22H14Cl3N5O4S

M.W.:
550.81

Type:
Unknown

AlogP:
5.84

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4866473

Name:
5-Chloro-N-(4-((1-isopropyl-[1,2,4]triazolo[4,3-a]
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Mol. Formula:
C25H22ClN5O4S

M.W.:
524.00

Type:
Unknown

AlogP:
5.66

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4866447

Name:
N-[4-(7,8-Difluoro-[1,2,4]triazolo[4,3-a]quinoxali
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Mol. Formula:
C23H17F2N5O4S

M.W.:
497.48

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4866180

Name:
5-Chloro-N-[4-(7,8-dimethyl-[1,2,4]triazolo[4,3-a]
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Mol. Formula:
C24H20ClN5O4S

M.W.:
509.98

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4866155

Name:
2,5-Dimethyl-N-[4-([1,2,4]triazolo[4,3-a]quinoxali
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Mol. Formula:
C23H19N5O3S

M.W.:
445.50

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4864461

Name:
N-(4-((1-Isopropyl-[1,2,4]triazolo[4,3-a]quinoxali
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Mol. Formula:
C26H25N5O3S

M.W.:
487.59

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
98.48

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4864170

Name:
4-((3-(3-(6-methoxypyridazin-3-yl)phenyl)-1H-pyraz
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Mol. Formula:
C19H17N5OS

M.W.:
363.45

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
65.72

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4863725

Name:
5-Chloro-N-[4-(1-propyl-7,8-dimethyl-[1,2,4]triazo
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Mol. Formula:
C27H26ClN5O4S

M.W.:
552.06

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4863558

Name:
N-(4-((1-Butyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]q
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Mol. Formula:
C27H27N5O4S

M.W.:
517.61