Compounds

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4513796

Name:
1-(2-((6-(2-fluorophenyl)benzo[d][1,3]dioxol-5-yl)
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Mol. Formula:
C22H23FN2O5

M.W.:
414.43

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
80.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4483812

Name:
1-(2-((4-methylnaphthalen-1-yl)methyleneaminooxy)e
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Mol. Formula:
C20H24N2O3

M.W.:
340.42

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4483811

Name:
1-(2-(4-hydroxybenzylideneaminooxy)ethyl)piperidin
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Mol. Formula:
C15H20N2O4

M.W.:
292.33

Type:
Unknown

AlogP:
1.54

Polar Surface Area:
82.36

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4483559

Name:
rac-(3R,5R)-5-(2-(2-((5-(4-chlorophenyl)furan-2-yl
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Mol. Formula:
C19H22ClN3O3

M.W.:
375.86

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
86.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4476853

Name:
rac-(3R,5S)-5-((2-((3-(1H-pyrrol-1-yl)thiophen-2-y
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Mol. Formula:
C16H20N4O2S

M.W.:
332.43

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
78.65

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4476777

Name:
1-(2-((4'-chloro-2'-fluorobiphenyl-2-yl)methylenea
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Mol. Formula:
C20H20ClFN2O3

M.W.:
390.84

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4475989

Name:
4'-methylbiphenyl-3-carbaldehyde

Cas Number:
116470-54-3

Mol. Formula:
C14H12O

M.W.:
196.25

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4475902

Name:
1-(2-(2-(1H-pyrrol-1-yl)benzylideneaminooxy)ethyl)
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Mol. Formula:
C19H23N3O3

M.W.:
341.41

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
67.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4475547

Name:
1-{2-[({(1E)-[2',4'-Difluoro-(1,1'-biphenyl)-2-yl]
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Mol. Formula:
C21H23ClF2N2O3

M.W.:
424.88

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4475423

Name:
3-Methylbenzaldehyde

Cas Number:
620-23-5

Mol. Formula:
C8H8O

M.W.:
120.15

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA4475418

Name:
rac-(3R,5S)-5-((2-((2-phenylpyrimidin-5-yl)methyle
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Mol. Formula:
C18H21N5O2

M.W.:
339.40

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
99.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4475035

Name:
3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde

Cas Number:
306936-57-2

Mol. Formula:
C10H7FN2O

M.W.:
190.18

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA4474998

Name:
2-(2-Fluorophenyl)pyrimidine-5-carbaldehyde

Cas Number:
946707-17-1

Mol. Formula:
C11H7FN2O

M.W.:
202.19

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA4474919

Name:
rac-(3R,5S)-5-((2-((3-(2,4-bis(trifluoromethyl)phe
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Mol. Formula:
C20H19F6N3O2S

M.W.:
479.45

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
73.72

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4474679

Name:
9H-Fluorene-2-carbaldehyde

Cas Number:
30084-90-3

Mol. Formula:
C14H10O

M.W.:
194.23

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4474374

Name:
1-(2-((2-(2,4-dichlorophenyl)pyridin-3-yl)methylen
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Mol. Formula:
C20H21Cl2N3O3

M.W.:
422.31

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
75.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4474346

Name:
2-Phenylnicotinaldehyde

Cas Number:
74796-19-3

Mol. Formula:
C12H9NO

M.W.:
183.21

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4474311

Name:
1-(2-((6-bromopyridin-3-yl)methyleneaminooxy)ethyl
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Mol. Formula:
C14H18BrN3O3

M.W.:
356.22

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
75.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4540923

Name:
2,2,2-Tris(4-fluorophenyl)acetaldehyde

Mol. Formula:
C20H13F3O

M.W.:
326.32