Compounds

ALA3729099

Name:
5-(3-(methylsulfonyl)phenyl)-4-(thiazol-2-ylthio)t
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Mol. Formula:
C16H11N3O2S4

M.W.:
405.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
72.81

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3727398

Name:
5-(3-(methylsulfonyl)phenyl)-4-(4-methylthiazol-2-
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Mol. Formula:
C17H13N3O2S4

M.W.:
419.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
72.81

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3729321

Name:
2-ethyl-5-(5-(3-(methylsulfonyl)phenyl)thieno[2,3-
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Mol. Formula:
C17H14N4O3S3

M.W.:
418.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
98.84

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3731638

Name:
5-(3-(methylsulfonyl)phenyl)-N-(5-methylthiazol-2-
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Mol. Formula:
C17H14N4O2S3

M.W.:
402.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
84.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3729792

Name:
5-(3-(methylsulfonyl)phenyl)-4-(pyridin-4-ylthio)t
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Mol. Formula:
C18H13N3O2S3

M.W.:
399.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
72.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3730832

Name:
5-(3-(methylsulfonyl)phenyl)-N-(thiazol-2-yl)thien
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Mol. Formula:
C16H12N4O2S3

M.W.:
388.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
84.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3731120

Name:
4-(1,3,4-thiadiazol-2-ylthio)-5-(3-(methylsulfonyl
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Mol. Formula:
C15H10N4O2S4

M.W.:
406.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
85.70

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3729376

Name:
4-(1H-benzo[d]imidazol-2-ylthio)-5-(3-(methylsulfo
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Mol. Formula:
C20H14N4O2S3

M.W.:
438.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
88.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3731341

Name:
5-(3-(methylsulfonyl)phenyl)-N-(pyridin-4-yl)thien
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Mol. Formula:
C18H14N4O2S2

M.W.:
382.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3732764

Name:
4-(4H-1,2,4-triazol-3-ylthio)-5-(3-(methylsulfonyl
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Mol. Formula:
C15H11N5O2S3

M.W.:
389.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
101.49

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3729001

Name:
2-(5-(3-(methylsulfonyl)phenyl)thieno[2,3-d]pyrimi
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Mol. Formula:
C19H13N5O2S3

M.W.:
439.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
82.15

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3728003

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-(methylsulf
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Mol. Formula:
C17H15N5O2S3

M.W.:
417.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
97.73

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3729140

Name:
4-(benzo[d]thiazol-2-ylthio)-5-(3-(methylsulfonyl)
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Mol. Formula:
C20H13N3O2S4

M.W.:
455.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
72.81

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3730934

Name:
N-(1,3-dimethyl-1H-pyrazol-5-yl)-5-(3-(methylsulfo
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Mol. Formula:
C18H17N5O2S2

M.W.:
399.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
89.77

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3729993

Name:
5-(3-(methylsulfonyl)phenyl)-N-(4-methylthiazol-2-
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Mol. Formula:
C17H14N4O2S3

M.W.:
402.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
84.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3727411

Name:
4-methyl-1-(5-(3-(methylsulfonyl)phenyl)thieno[2,3
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Mol. Formula:
C16H13N5O2S3

M.W.:
403.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
82.67

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3732475

Name:
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-(methylsul
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Mol. Formula:
C16H13N5O2S3

M.W.:
403.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
97.73

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3729186

Name:
2-methyl-5-(5-(3-(methylsulfonyl)phenyl)thieno[2,3
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Mol. Formula:
C16H12N4O3S3

M.W.:
404.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
98.84

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3732136

Name:
5-(3-(methylsulfonyl)phenyl)-N-(pyridin-2-ylmethyl
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Mol. Formula:
C19H16N4O2S2

M.W.:
396.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3730118

Name:
4-(2-(5-(3-(methylsulfonyl)phenyl)thieno[2,3-d]pyr
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Mol. Formula:
C21H19N3O3S2

M.W.:
425.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
92.18

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS