Compounds

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
89.34

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1093266

Name:
2,4,6-trimethyl-N-((3'-(methylsulfonyl)biphenyl-4-
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Cas Number:
1221277-90-2

Mol. Formula:
C29H28F3NO5S2

M.W.:
591.67

1,054 activity values

19 unique targets

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
84.66

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1093828

Name:
N-(2-chloro-4-fluorobenzyl)-2,4,6-trimethyl-N-((3'
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Mol. Formula:
C30H29ClFNO4S2

M.W.:
586.15

Type:
Small molecule

AlogP:
6.87

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1093523

Name:
N-(2-chloro-6-fluorobenzyl)-2,4,6-trimethyl-N-((3'
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Mol. Formula:
C30H29ClFNO4S2

M.W.:
586.15

Type:
Small molecule

AlogP:
6.87

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1091976

Name:
N-(2-chloro-6-fluorobenzyl)-2-methyl-N-((3'-(methy
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Mol. Formula:
C28H25ClFNO4S2

M.W.:
558.10

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1093840

Name:
N-(2-chloro-6-fluorobenzyl)-N-((3'-(methylsulfonyl
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Mol. Formula:
C24H23ClFNO4S2

M.W.:
508.04

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1093554

Name:
N-(2-chloro-6-fluorobenzyl)-N-((3'-(methylsulfonyl
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Mol. Formula:
C27H23ClFNO4S2

M.W.:
544.07

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1091034

Name:
N-(2-chloro-4-fluorobenzyl)-N-((3'-(methylsulfonyl
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Mol. Formula:
C27H23ClFNO4S2

M.W.:
544.07

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1091958

Name:
N-(biphenyl-4-ylmethyl)-N-(2-chloro-4-fluorobenzyl
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Mol. Formula:
C27H21ClFNO

M.W.:
429.92

Type:
Small molecule

AlogP:
6.99

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1090570

Name:
N-benzyl-1-(biphenyl-4-yl)-N-(2-chloro-4-fluoroben
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Mol. Formula:
C27H23ClFN

M.W.:
415.94

Type:
Small molecule

AlogP:
7.35

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1090569

Name:
N-(biphenyl-4-ylmethyl)-N-(2-chloro-4-fluorobenzyl
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Mol. Formula:
C26H21ClFNO2S

M.W.:
465.98

Type:
Small molecule

AlogP:
6.54

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1090238

Name:
N-benzyl-4-fluoro-N-((3'-(piperazin-1-ylmethyl)bip
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Mol. Formula:
C31H32FN3O2S

M.W.:
529.68

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1097140

Name:
4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl
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Mol. Formula:
C23H14F5NO2S

M.W.:
463.43

12 activity values

Type:
Small molecule

AlogP:
6.27

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1097160

Name:
4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(
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Mol. Formula:
C23H15F4NO2S

M.W.:
445.44

11 activity values

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1097159

Name:
4-(2',4'-difluoro-5'-(methylsulfonyl)biphenyl-3-yl
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Mol. Formula:
C24H16F5NO2S

M.W.:
477.45

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1097158

Name:
4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-m
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Mol. Formula:
C24H17F4NO2S

M.W.:
459.46

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1099133

Name:
4-(4'-methoxy-3'-(methylsulfonyl)biphenyl-3-yl)-3-
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Mol. Formula:
C25H20F3NO3S

M.W.:
471.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1098850

Name:
3-methyl-4-(4'-methyl-3'-(methylsulfonyl)biphenyl-
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Mol. Formula:
C25H20F3NO2S

M.W.:
455.50

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1098832

Name:
4-(3'-(ethylsulfonyl)biphenyl-3-yl)-3-methyl-8-(tr
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Mol. Formula:
C25H20F3NO2S

M.W.:
455.50

12 activity values

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1098831

Name:
4-(3'-(ethylsulfonyl)biphenyl-3-yl)-8-(trifluorome
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Mol. Formula:
C24H18F3NO2S

M.W.:
441.47

12 activity values