Compounds

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4476747

Name:
N-(cyclopropylsulfonyl)-1-methyl-3-(1,2,3,6-tetrah
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Mol. Formula:
C18H21N3O3S

M.W.:
359.45

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
80.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4475812

Name:
5-(3,4-dichlorophenyl)-N-(methylsulfonyl)isoxazole
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Mol. Formula:
C11H8Cl2N2O4S

M.W.:
335.17

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
89.27

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4475206

Name:
3-(4-(Difluoromethyl)phenyl)-5-fluoro-1-methyl-N-(
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Mol. Formula:
C18H15F3N2O3S

M.W.:
396.39

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4475195

Name:
3,4-dichloro-N-(2-(methylsulfonamido)-2-oxoethyl)b
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Mol. Formula:
C10H10Cl2N2O4S

M.W.:
325.17

Type:
Unknown

AlogP:
0.80

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4475017

Name:
3-(5-Chloro-6-isobutoxypyridin-3-yl)-5-fluoro-1-me
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Mol. Formula:
C20H21ClFN3O4S

M.W.:
453.92

25 activity values

10 unique targets

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4474646

Name:
3-cyclohexyl-N-(cyclopropylsulfonyl)-2-(2-methoxyp
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Mol. Formula:
C24H28N4O4S

M.W.:
468.58

3 activity values

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4474527

Name:
(2S,5R)-5-(4-(1-(2,6-dimethylphenyl)-1H-tetrazol-5
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Mol. Formula:
C20H22N6O2

M.W.:
378.44

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
107.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4474513

Name:
1-(5-chloro-6-((1-methylcyclopropyl)methoxy)pyridi
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Mol. Formula:
C20H21ClN4O4S

M.W.:
448.93

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4474441

Name:
4-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-3-met
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Mol. Formula:
C18H21ClN2O5S

M.W.:
412.90

4 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
94.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4540716

Name:
3-(3,4-dichlorophenyl)-N-(methylsulfonyl)propanami
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Mol. Formula:
C10H11Cl2NO3S

M.W.:
296.17

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4539119

Name:
4-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-N-(me
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Mol. Formula:
C18H18ClF3N2O5S

M.W.:
466.87

4 activity values

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
94.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4537869

Name:
3-cyclohexyl-N-(cyclopropylsulfonyl)-1-methyl-2-(2
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Mol. Formula:
C27H33N5O4S

M.W.:
523.66

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
106.42

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4537339

Name:
4-(3,4-dichlorophenoxy)-2,5-difluoro-N-(methylsulf
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Mol. Formula:
C14H9Cl2F2NO4S

M.W.:
396.20

3 activity values

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4536400

Name:
3-(4-Ethylphenyl)-1-methyl-N-(methylsulfonyl)-1H-i
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Mol. Formula:
C19H20N2O3S

M.W.:
356.45

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4524830

Name:
3-cyclohexyl-N-(cyclopropylsulfonyl)-5-fluoro-1-me
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Mol. Formula:
C19H23FN2O3S

M.W.:
378.47

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4524193

Name:
N-(Cyclopropylsulfonyl)-5-fluoro-1-methyl-3-(4-(tr
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Mol. Formula:
C19H15F4N3O3S

M.W.:
441.41

25 activity values

10 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
81.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4534722

Name:
1-(3,4-dichlorobenzyl)-N-(methylsulfonyl)-5-oxopyr
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Mol. Formula:
C13H14Cl2N2O4S

M.W.:
365.24

Type:
Unknown

AlogP:
1.42

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4534052

Name:
2-Chloro-4-(5-chloro-6-(2-methylpropoxy)-3-pyridin
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Mol. Formula:
C17H18Cl2N2O4S

M.W.:
417.31

4 activity values

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
85.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4533946

Name:
2-(4-(3,4-dichlorophenylsulfonamido)phenyl)-N-(met
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Mol. Formula:
C15H14Cl2N2O5S2

M.W.:
437.33