Compounds

ALA4294511

Name:
(E)-N-(4-methoxyphenyl)-2-(4-nitrobenzylidene)hydr
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Mol. Formula:
C15H14N4O3S

M.W.:
330.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
88.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4294257

Name:
(E)-2-(naphthalen-2-ylmethylene)-N-p-tolylhydrazin
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Mol. Formula:
C19H17N3S

M.W.:
319.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
36.42

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4294110

Name:
(E)-2-benzylidene-N-(naphthalen-1-yl)hydrazine-car
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Mol. Formula:
C18H15N3S

M.W.:
305.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
36.42

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4293848

Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-N-p-tolylhy
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Mol. Formula:
C16H17N3O2S

M.W.:
315.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
65.88

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4293122

Name:
(E)-2-(3,4-dichlorobenzylidene)-N-(4-methoxyphenyl
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Mol. Formula:
C15H13Cl2N3OS

M.W.:
354.26

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
45.65

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4292578

Name:
(E)-2-(4-methylbenzylidene)-N-p-tolylhydrazinecarb
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Mol. Formula:
C16H17N3S

M.W.:
283.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
36.42

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4292242

Name:
(E)-N-(naphthalen-1-yl)-2-(4-nitrobenzylidene)hydr
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Mol. Formula:
C18H14N4O2S

M.W.:
350.40

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
79.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4291222

Name:
(E)-2-([1,1'-biphenyl]-4-ylmethylene)-N-(4-methoxy
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Mol. Formula:
C21H19N3OS

M.W.:
361.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
45.65

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4291145

Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-N-(naphthal
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Mol. Formula:
C19H17N3O2S

M.W.:
351.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
65.88

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4291102

Name:
(E)-2-(4-methoxybenzylidene)-N-(4-methoxyphenyl)hy
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Mol. Formula:
C16H17N3O2S

M.W.:
315.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
54.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4291075

Name:
(E)-2-(4-chlorobenzylidene)-N-p-tolylhydrazinecarb
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Mol. Formula:
C15H14ClN3S

M.W.:
303.82

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
36.42

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4290703

Name:
(E)-2-(4-(dimethylamino)benzylidene)-N-p-tolylhydr
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Mol. Formula:
C17H20N4S

M.W.:
312.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
39.66

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4290444

Name:
(E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-N-p-toly
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Mol. Formula:
C16H15N3O2S

M.W.:
313.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
54.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4289736

Name:
(E)-2-(3,4-dimethoxybenzylidene)-N-(4-methoxypheny
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Mol. Formula:
C17H19N3O3S

M.W.:
345.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
64.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4289164

Name:
(E)-2-(4-(dimethylamino)benzylidene)-N-(naphthalen
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Mol. Formula:
C20H20N4S

M.W.:
348.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
39.66

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4288832

Name:
(E)-2-(4-methoxybenzylidene)-N-(naphthalen-1-yl)hy
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Mol. Formula:
C19H17N3OS

M.W.:
335.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
45.65

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4288744

Name:
(E)-2-((5-(2-chloro-5-(trifluoromethyl)phenyl)fura
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Mol. Formula:
C23H15ClF3N3OS

M.W.:
473.91

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
49.56

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4288647

Name:
(E)-N-(4-methoxyphenyl)-2-(3,4,5-trimethoxybenzyli
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Mol. Formula:
C18H21N3O4S

M.W.:
375.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
73.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4287737

Name:
(E)-N-(naphthalen-1-yl)-2-(naphthalen-1-ylmethylen
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Mol. Formula:
C22H17N3S

M.W.:
355.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
36.42

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4287446

Name:
(E)-2-(2-nitrobenzylidene)-N-p-tolylhydrazinecarbo
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Mol. Formula:
C15H14N4O2S

M.W.:
314.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
79.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS