Compounds

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4095004

Name:
(2,6-Difluoro-3-hydroxy-phenyl)-(5-(4-methoxy-3-(m
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Mol. Formula:
C22H19F2NO6S2

M.W.:
495.53

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
93.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4103524

Name:
(5-(3-Chloro-4-methoxy-5-methyl-phenyl)-thiophen-2
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Mol. Formula:
C19H13ClF2O3S

M.W.:
394.83

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
46.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4101849

Name:
(2,6-Difluoro-3-hydroxy-phenyl)-(5-pyridin-3-yl-th
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Mol. Formula:
C16H9F2NO2S

M.W.:
317.32

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4101264

Name:
(2,6-Difluoro-3-hydroxy-phenyl)-(5-(4-hydroxy-3,5-
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Mol. Formula:
C19H14F2O3S

M.W.:
360.38

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
57.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4094112

Name:
4-(5-(2,6-Difluoro-3-hydroxybenzoyl)thiophen-2-yl)
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Mol. Formula:
C17H11F2NO4S2

M.W.:
395.41

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
97.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4092593

Name:
[5-(2,4-Difluoro-phenyl)-thiophen-2-yl]-(2,4,5-tri
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Mol. Formula:
C17H7F5O2S

M.W.:
370.30

8 activity values

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4091749

Name:
(5-(3,5-Dichloro-4-hydroxy-phenyl)-thiophen-2-yl)-
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Mol. Formula:
C17H8Cl2F2O3S

M.W.:
401.22

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
57.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4091622

Name:
(2,6-Difluoro-3-hydroxy-phenyl)-(5-pyridin-4-yl-th
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Mol. Formula:
C16H9F2NO2S

M.W.:
317.32

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4091053

Name:
(5-(3-chloro-4-hydroxy-5-(piperazin-1-ylmethyl)phe
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Mol. Formula:
C23H21ClF2N2O3S

M.W.:
478.95

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
61.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4088890

Name:
2-(5-(2,6-Difluoro-3-hydroxybenzoyl)thiophen-2-yl)
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Mol. Formula:
C17H11F2NO5S2

M.W.:
411.41

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
106.69

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4088861

Name:
5-(5-(2,6-Difluoro-3-hydroxy-benzoyl)-thiophen-2-y
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Mol. Formula:
C18H9F2NO3S

M.W.:
357.34

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
81.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4084832

Name:
(5-(2,4-Difluoro-phenyl)-thiophen-2-yl)-(3-hydroxy
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Mol. Formula:
C17H10F2O2S

M.W.:
316.33

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4089862

Name:
(5-(3,5-Dichloro-4-methoxy-phenyl)-thiophen-2-yl)-
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Mol. Formula:
C18H12Cl2O3S

M.W.:
379.26

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
46.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4073469

Name:
5-(5-(2,6-Difluoro-3-hydroxy-benzoyl)-thiophen-2-y
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Mol. Formula:
C21H15F2NO3S

M.W.:
399.42

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
70.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4072426

Name:
(2,6-Difluoro-3-hydroxyphenyl)(5-(4-methoxyphenyl)
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Mol. Formula:
C18H12F2O3S

M.W.:
346.35

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
46.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4071808

Name:
(5-(2,4-Difluoro-phenyl)-thiophen-2-yl)-(2-fluoro-
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Mol. Formula:
C17H9F3O2S

M.W.:
334.32

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4071588

Name:
(2,6-Difluoro-3-hydroxyphenyl)(5-(4-hydroxyphenyl)
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Mol. Formula:
C17H10F2O3S

M.W.:
332.33

14 activity values

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
57.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4063985

Name:
(5-(3-Chloro-4-hydroxy-5-methyl-phenyl)-thiophen-2
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Mol. Formula:
C18H11ClF2O3S

M.W.:
380.80

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
57.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4063839

Name:
(5-(3-Chloro-4-hydroxy-phenyl)-thiophen-2-yl)-(2,6
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Mol. Formula:
C17H9ClF2O3S

M.W.:
366.77