Compounds

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2288514

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamo
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Mol. Formula:
C15H15F3N6O6S

M.W.:
464.38

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2288513

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamo
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Mol. Formula:
C16H18N6O6S

M.W.:
422.42

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2288512

Name:
N-allyl-2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl
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Mol. Formula:
C16H18N6O6S

M.W.:
422.42

Type:
Small molecule

AlogP:
0.31

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2288510

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamo
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Mol. Formula:
C20H20N6O6S

M.W.:
472.48

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2288509

Name:
methyl 2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)
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Mol. Formula:
C16H18N6O8S

M.W.:
454.42

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
179.01

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2288507

Name:
2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamo
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Mol. Formula:
C16H17F3N6O6S

M.W.:
478.41

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2288504

Name:
N-butyl-2-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl
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Mol. Formula:
C17H22N6O6S

M.W.:
438.47

Type:
Small molecule

AlogP:
0.93

Polar Surface Area:
161.50

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288500

Name:
N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-3-(piperi
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Mol. Formula:
C18H22N6O6S

M.W.:
450.48

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2273020

Name:
(Z)-allyl 3-((6-chloropyridin-3-yl)methylamino)-2-
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Mol. Formula:
C14H14ClN3O2S

M.W.:
323.81

16 activity values

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
75.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2273019

Name:
(Z)-allyl 3-((6-chloropyridin-3-yl)methylamino)-2-
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Mol. Formula:
C15H16ClN3O2S

M.W.:
337.83

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
75.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2273018

Name:
(Z)-(tetrahydrofuran-2-yl)methyl 3-((6-chloropyrid
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Mol. Formula:
C16H18ClN3O3S

M.W.:
367.86

16 activity values

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
84.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2273017

Name:
(Z)-3-((6-chloropyridin-3-yl)methylamino)-3-(methy
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Mol. Formula:
C15H17ClN4O2S

M.W.:
352.85

16 activity values

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
78.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2273016

Name:
(Z)-2-methoxy-2-oxoethyl 3-((6-chloropyridin-3-yl)
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Mol. Formula:
C14H14ClN3O4S

M.W.:
355.80

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
101.31

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2273015

Name:
(Z)-2-ethoxyethyl 2-cyano-3-((6-methoxypyridin-3-y
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Mol. Formula:
C16H21N3O4S

M.W.:
351.43

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
93.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2273014

Name:
(Z)-2-ethoxyethyl 2-cyano-3-((6-ethoxypyridin-3-yl
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Mol. Formula:
C17H23N3O4S

M.W.:
365.46

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
93.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2273013

Name:
(Z)-2-ethoxyethyl 2-cyano-3-(methylthio)-3-((6-pro
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Mol. Formula:
C18H25N3O4S

M.W.:
379.48

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
93.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2273012

Name:
(Z)-2-methoxyethyl 2-cyano-3-(methylthio)-3-(pyrid
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Mol. Formula:
C14H17N3O3S

M.W.:
307.38

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
84.24

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2273011

Name:
(Z)-2-methoxyethyl 2-cyano-3-((6-methoxypyridin-3-
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Mol. Formula:
C15H19N3O4S

M.W.:
337.40

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
93.47

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2273010

Name:
(Z)-2-methoxyethyl 2-cyano-3-((6-ethoxypyridin-3-y
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Mol. Formula:
C16H21N3O4S

M.W.:
351.43