Compounds

Type:
Unknown

AlogP:
-6.23

Polar Surface Area:
384.95

HBA:
15

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4294472

Name:
5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-meth
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Mol. Formula:
C26H25ClN4O7S

M.W.:
573.03

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
127.37

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4293297

Name:
1-(2,4-dimethoxyphenylsulfonyl)-3-(2-ethoxypyridin
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Mol. Formula:
C33H32N6O6S

M.W.:
640.72

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
138.19

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4292610

Name:
3-(2-ethoxy-5-methoxyphenyl)-1-(5-methoxyquinolin-
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Mol. Formula:
C37H34N6O6S

M.W.:
690.78

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
138.19

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4292247

Name:
3-(2-methoxypyridin-3-yl)-2-oxo-3-(4-(pyridin-3-yl
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Mol. Formula:
C33H27N7O4S

M.W.:
617.69

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
132.62

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4291536

Name:
3-(2,5-dimethoxyphenyl)-1-(2,4-dimethoxyphenylsulf
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Mol. Formula:
C34H33N5O7S

M.W.:
655.73

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
134.53

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4290663

Name:
5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-meth
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Mol. Formula:
C32H31ClN4O6S

M.W.:
635.14

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
101.51

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4289740

Name:
3-(2-ethoxy-5-methoxyphenyl)-2-oxo-3-(4-(pyridin-4
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Mol. Formula:
C36H32N6O5S

M.W.:
660.76

13 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
128.96

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4289593

Name:
5-chloro-3-(2-methoxyphenyl)-1-(4-methoxyphenylsul
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Mol. Formula:
C31H29ClN4O5S

M.W.:
605.12

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
92.28

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4289186

Name:
3-(2-ethoxy-5-methoxyphenyl)-1-(5-methoxypyridin-2
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Mol. Formula:
C33H32N6O6S

M.W.:
640.72

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
138.19

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4288837

Name:
1-(2,4-dimethoxyphenylsulfonyl)-3-(2-ethoxyphenyl)
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Mol. Formula:
C34H33N5O6S

M.W.:
639.73

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
125.30

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4287250

Name:
5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-((R)-2,
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Mol. Formula:
C28H29ClN4O7S

M.W.:
601.08

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
118.58

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4285472

Name:
1-(2,4-dimethoxyphenylsulfonyl)-3-(2-ethoxy-4-meth
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Mol. Formula:
C35H35N5O7S

M.W.:
669.76

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
134.53

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4285386

Name:
5-chloro-3-(2-methoxyphenyl)-1-(2-methoxyphenylsul
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Mol. Formula:
C31H29ClN4O5S

M.W.:
605.12

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
92.28

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4284730

Name:
3-(2-ethoxy-5-methoxyphenyl)-1-(5-fluoroquinolin-8
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Mol. Formula:
C36H31FN6O5S

M.W.:
678.75

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
128.96

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4283895

Name:
5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-meth
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Mol. Formula:
C27H27ClN4O7S

M.W.:
587.05

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
118.58

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4282776

Name:
5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-meth
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Mol. Formula:
C31H30ClN5O6S

M.W.:
636.13

4 activity values

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
114.40

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4281615

Name:
5-chloro-3-(2-methoxypyridin-3-yl)-3-(4-(pyridin-3
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Mol. Formula:
C32H27ClN6O4S

M.W.:
627.13

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
108.83

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4281537

Name:
1-(2,4-dimethoxyphenylsulfonyl)-3-(2-ethoxy-5-meth
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Mol. Formula:
C35H35N5O7S

M.W.:
669.76

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
134.53

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4281320

Name:
3-(2-ethoxy-5-methoxyphenyl)-1-(4-methoxyphenylsul
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Mol. Formula:
C34H33N5O6S

M.W.:
639.73

4 activity values