Compounds

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
103.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2443203

Name:
Ethyl 2-({2-[3-(aminosulfonyl)phenyl]-2-oxoethyl}s
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Mol. Formula:
C15H15N3O6S2

M.W.:
397.43

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
149.28

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2443202

Name:
Ethyl 2-({2-[4-(aminosulfonyl)-3-chlorophenyl]-2-o
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Mol. Formula:
C15H14ClN3O6S2

M.W.:
431.88

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
149.28

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2443201

Name:
3-{[(4-tert-Butyl-6-oxo-1,6-dihydropyrimidin-2-yl)
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Mol. Formula:
C16H19N3O4S2

M.W.:
381.48

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
122.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2443199

Name:
3-{[(6-Oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulf
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Mol. Formula:
C15H17N3O4S2

M.W.:
367.45

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
122.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2443197

Name:
3-{[(5-Benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-
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Mol. Formula:
C20H19N3O4S2

M.W.:
429.52

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
122.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2443196

Name:
4-{[(5-Benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-
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Mol. Formula:
C20H18ClN3O4S2

M.W.:
463.97

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
122.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2443195

Name:
3-{[(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulf
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Mol. Formula:
C13H13N3O4S2

M.W.:
339.40

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
122.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2443193

Name:
3-{[(5-Butylpyrimidin-2-yl)sulfanyl]acetyl}benzene
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Mol. Formula:
C16H19N3O3S2

M.W.:
365.48

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
103.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2443189

Name:
3-[(Pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonami
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Mol. Formula:
C12H11N3O3S2

M.W.:
309.37

45 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
103.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2333816

Name:
2,3,5,6-Tetrafluoro-4-(phenylsulfonyl)-benzenesulf
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Mol. Formula:
C12H7F4NO4S2

M.W.:
369.32

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
94.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2333815

Name:
2,3,5,6-Tetrafluoro-4-(phenylthio)benzenesulfonami
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Mol. Formula:
C12H7F4NO2S2

M.W.:
337.32

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
60.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2333814

Name:
6-{[4-(Aminosulfonyl)-2,3,5,6-tetrafluorophenyl]-a
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Mol. Formula:
C12H14F4N2O4S

M.W.:
358.31

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
109.49

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2333420

Name:
3-{[4-(Aminosulfonyl)-2,3,5,6-tetrafluorophenyl]th
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Mol. Formula:
C9H7F4NO4S2

M.W.:
333.28

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
97.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2333419

Name:
{[4-(Aminosulfonyl)-2,3,5,6-tetrafluorophenyl]thio
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Mol. Formula:
C8H5F4NO4S2

M.W.:
319.26

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
97.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2333418

Name:
2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonami
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Mol. Formula:
C9H9F4NO2S2

M.W.:
303.30

23 activity values

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
60.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2333417

Name:
2,3,5,6-Tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]be
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Mol. Formula:
C8H7F4NO5S2

M.W.:
337.27

37 activity values

12 unique targets

Type:
Small molecule

AlogP:
-0.34

Polar Surface Area:
114.53

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2333415

Name:
4-(2-Benzylidenehydrazino)-2,3,5,6-tetrafluorobenz
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Mol. Formula:
C13H9F4N3O2S

M.W.:
347.29

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
84.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2333414

Name:
2,3,5,6-Tetrafluoro-4-hydrazinobenzenesulfonamide

Mol. Formula:
C6H5F4N3O2S

M.W.:
259.18

Type:
Small molecule

AlogP:
0.18

Polar Surface Area:
98.21

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2333413

Name:
2,3,4,5,6-pentafluorobenzenesulfonamide

Cas Number:
778-36-9

Mol. Formula:
C6H2F5NO2S

M.W.:
247.14