Compounds

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
107.10

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4878960

Name:
5-((4-(tert-Butyl)phenyl)sulfonyl)-2-(2,5-dimethox
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Mol. Formula:
C22H26N2O4S

M.W.:
414.53

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
70.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4878794

Name:
4-(4-tert-butylphenylsulfonyl)-1-(5-chloro-2-metho
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Mol. Formula:
C20H22ClN3O3S

M.W.:
419.93

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4878253

Name:
4-((4-(tert-Butyl)phenyl)sulfonyl)-1-(2-methoxy-4,
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Mol. Formula:
C22H27N3O3S

M.W.:
413.54

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4877391

Name:
1-(2,5-Dimethoxyphenyl)-4-((4-methoxyphenyl)sulfon
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Mol. Formula:
C18H19N3O5S

M.W.:
389.43

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
92.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4877373

Name:
5-((4-(tert-Butyl)phenyl)sulfonyl)-2-(5-chloro-2-m
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Mol. Formula:
C21H23ClN2O3S

M.W.:
418.95

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4877224

Name:
1-(4-((4-(tert-Butyl)phenyl)sulfonyl)-1-(2,5-dimet
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Mol. Formula:
C22H25N3O5S

M.W.:
443.53

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
100.38

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4876988

Name:
4-((4-(tert-butyl)phenyl)sulfonyl)-1-(2,5-dimethox
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Mol. Formula:
C22H27N3O4S

M.W.:
429.54

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
83.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4876742

Name:
4-((1-(2,5-Dimethoxyphenyl)-5-methyl-1H-1,2,3-tria
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Mol. Formula:
C18H17N3O6S

M.W.:
403.42

4 activity values

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
120.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4876714

Name:
(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((2'-
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Mol. Formula:
C29H22ClF10NO2

M.W.:
641.93

4 activity values

2 unique targets

Type:
Unknown

AlogP:
10.41

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4875872

Name:
4-((4-(tert-Butyl)phenyl)sulfonyl)-1-(4-ethyl-2,5-
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Mol. Formula:
C23H29N3O4S

M.W.:
443.57

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
83.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4875869

Name:
4-((4-(tert-Butyl)phenyl)sulfonyl)-1-(4,5-dichloro
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Mol. Formula:
C20H21Cl2N3O3S

M.W.:
454.38

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4875002

Name:
(4S,5R)-5-(3,5-Bis-trifluoromethyl-phenyl)-3-(2-fl
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Mol. Formula:
C33H23F10NO3

M.W.:
671.53

4 activity values

2 unique targets

Type:
Unknown

AlogP:
10.31

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4874930

Name:
5-((4-(tert-Butyl)phenyl)sulfonyl)-2-(2-methoxy-5-
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Mol. Formula:
C22H26N2O3S

M.W.:
398.53

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4874182

Name:
2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-phenethyl-
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Mol. Formula:
C28H22FN3O2S

M.W.:
483.57

3 activity values

2 unique targets

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
68.01

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4874083

Name:
4-(4-tert-butylphenylsulfonyl)-1-(2-methoxy-5-meth
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Mol. Formula:
C21H25N3O3S

M.W.:
399.52

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4873947

Name:
4-((4-(tert-Butyl)phenyl)sulfonyl)-1-(2-methoxy-5-
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Mol. Formula:
C20H24N4O3S

M.W.:
400.50

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
100.10

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4873927

Name:
5-((4-(tert-Butyl)phenyl)sulfonyl)-2-(2-methoxy-5-
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Mol. Formula:
C21H24N2O3S

M.W.:
384.50

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
72.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4873416

Name:
2''-(((4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4
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Mol. Formula:
C35H26F9NO5

M.W.:
711.58

12 activity values

6 unique targets

Type:
Unknown

AlogP:
10.17

Polar Surface Area:
76.07

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4872907

Name:
4-((4-(tert-Butyl)phenyl)sulfonyl)-5-methyl-1-(2,4
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Mol. Formula:
C22H27N3O5S

M.W.:
445.54