Compounds

Type:
---

AlogP:
4.72

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5205943

Name:
(2Z,3E)-3-((3-(Dimethylamino)propoxy)imino)-[2,3'-
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Mol. Formula:
C21H22N4O2

M.W.:
362.43

11 activity values

Type:
---

AlogP:
3.15

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5204542

Name:
(2Z,3E)-3-((2-(1-Methylpyrrolidin-2-yl)ethoxy)imin
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Mol. Formula:
C23H24N4O2

M.W.:
388.47

21 activity values

Type:
---

AlogP:
3.68

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5188455

Name:
(2Z,3E)-3-(((1-Methylpiperidin-4-yl)oxy)imino)-[2,
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Mol. Formula:
C22H22N4O2

M.W.:
374.44

13 activity values

Type:
---

AlogP:
3.29

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5186226

Name:
(2Z,3E)-6'-Fluoro-3-((2-(1-methylpiperidin-2-yl)et
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Mol. Formula:
C24H25FN4O2

M.W.:
420.49

2 activity values

2 unique targets

Type:
---

AlogP:
4.21

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5181676

Name:
(2Z,3E)-5'-Fluoro-3-((2-(1-methylpiperidin-2-yl)et
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Mol. Formula:
C24H25FN4O2

M.W.:
420.49

10 activity values

Type:
---

AlogP:
4.21

Polar Surface Area:
65.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5175623

Name:
(2Z,3E)-3-((2-(1-Methylpiperidin-2-yl)ethoxy)imino
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Mol. Formula:
C24H25N5O4

M.W.:
447.50

3 activity values

3 unique targets

Type:
---

AlogP:
3.98

Polar Surface Area:
109.10

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3394925

Name:
(E)-N-(4-(2-(3-bromo-4-hydroxy-5-methoxybenzyliden
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Mol. Formula:
C23H20BrN3O4

M.W.:
482.33

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3394924

Name:
N-(4-(2-(3-bromo-4-hydroxy-5-methoxybenzyl)hydrazi
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Mol. Formula:
C22H20BrN3O4

M.W.:
470.32

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3394923

Name:
4-benzamido-N-(3-bromo-4-hydroxy-5-methoxyphenethy
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Mol. Formula:
C23H21BrN2O4

M.W.:
469.34

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3394922

Name:
(E)-N-(4-(2-(2-(3-bromo-4-hydroxy-5-methoxybenzyli
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Mol. Formula:
C23H20BrN3O4

M.W.:
482.33

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3394921

Name:
(E)-N-(4-(2-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)
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Mol. Formula:
C23H20BrN3O4

M.W.:
482.33

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3394920

Name:
(E)-N-(4-(2-(5-bromo-2-hydroxybenzylidene)hydrazin
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Mol. Formula:
C16H14BrN3O3

M.W.:
376.21

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
90.79

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3394919

Name:
(E)-N-(4-(2-(pyridin-2-ylmethylene)hydrazinecarbon
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
83.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3394918

Name:
(E)-N-(4-(2-(pyridin-3-ylmethylene)hydrazinecarbon
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
83.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3394917

Name:
(E)-N-(4-(2-(pyridin-4-ylmethylene)hydrazinecarbon
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
83.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3394916

Name:
(E)-N-(4-(2-(3-(2-morpholinoethoxy)benzylidene)hyd
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Mol. Formula:
C27H28N4O4

M.W.:
472.55

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
92.26

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3394915

Name:
(E)-N-(4-(2-(3-methylbutylidene)hydrazinecarbonyl)
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Mol. Formula:
C19H21N3O2

M.W.:
323.40

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3394914

Name:
(E)-N-(4-(2-((2-methoxypyridin-4-yl)methylene)hydr
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Mol. Formula:
C21H18N4O3

M.W.:
374.40

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
92.68

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3394913

Name:
(E)-N-(4-(2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethox
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Mol. Formula:
C28H30N4O4

M.W.:
486.57