Compounds

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
60.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4483602

Name:
N'-(5-Chloro-2-hydroxybenzoyl)-2-oxo-2H-chromene-3
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Mol. Formula:
C17H11ClN2O5

M.W.:
358.74

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
108.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4476045

Name:
2-(1-(biphenyl-4-yl)-3-(chroman-6-yl)isoquinolin-4
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Mol. Formula:
C36H33NO4

M.W.:
543.66

4 activity values

Type:
Unknown

AlogP:
8.50

Polar Surface Area:
68.65

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4534066

Name:
1-(Hydroxy)-1,2,3,6-tetrahydro-2,6-dioxo-4-(phenyl
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Mol. Formula:
C7H10N4O4

M.W.:
214.18

Type:
Unknown

AlogP:
-1.70

Polar Surface Area:
130.21

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4533364

Name:
6-Chloro-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxo-2H-
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Mol. Formula:
C18H13ClN2O6

M.W.:
388.76

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
117.87

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4532605

Name:
sodium 2-tert-butoxy-2-(3-(4-methoxyphenyl)-1-meth
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Mol. Formula:
C22H24NNaO4

M.W.:
389.43

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
60.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4532531

Name:
N'-(2-Hydroxy-3-methoxybenzoyl)-8-methoxy-2-oxo-2H
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Mol. Formula:
C19H16N2O7

M.W.:
384.34

2 activity values

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
127.10

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4558950

Name:
3-(4-(tert-butoxy(carboxy)methyl)-3-(chroman-6-yl)
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Mol. Formula:
C31H29NO6

M.W.:
511.57

Type:
Unknown

AlogP:
6.53

Polar Surface Area:
105.95

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4558632

Name:
2-tert-butoxy-2-(1-(3-methoxyphenyl)-3-phenylisoqu
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Mol. Formula:
C28H27NO4

M.W.:
441.53

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
68.65

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4557712

Name:
4-(Tert-butyl)-N-(3-hydroxy-2,4-dioxo-1,2,3,4-tetr
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Mol. Formula:
C18H19N3O5S

M.W.:
389.43

6 activity values

4 unique targets

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
121.26

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4557062

Name:
2-tert-butoxy-2-(3-(chroman-6-yl)-1-(4-methoxyphen
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Mol. Formula:
C31H31NO5

M.W.:
497.59

Type:
Unknown

AlogP:
6.84

Polar Surface Area:
77.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4568499

Name:
6-Chloro-N'-(5-chloro-2-hydroxybenzoyl)-2-oxo-2H-c
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Mol. Formula:
C17H10Cl2N2O5

M.W.:
393.18

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
108.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4528193

Name:
6-Chloro-N'-(2-hydroxy-3-methoxybenzoyl)-2-oxo-2H-
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Mol. Formula:
C18H13ClN2O6

M.W.:
388.76

2 activity values

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
117.87

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4527313

Name:
2-tert-butoxy-2-(1,3-di(chroman-6-yl)isoquinolin-4
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Mol. Formula:
C33H33NO5

M.W.:
523.63

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
77.88

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4526711

Name:
2-tert-butoxy-2-(3-(chroman-6-yl)-1-(furan-2-yl)is
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Mol. Formula:
C28H27NO5

M.W.:
457.53

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
81.79

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4573753

Name:
sodium 2-(1-benzyl-3-(4-methoxyphenyl)-1H-indol-2-
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Mol. Formula:
C28H28NNaO4

M.W.:
465.53

Type:
Unknown

AlogP:
6.31

Polar Surface Area:
60.69

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4573064

Name:
Rac-2-(tert-Butoxy)-2-(7-(8-fluoro-5-methylchroman
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Mol. Formula:
C29H30FN3O4

M.W.:
503.57

8 activity values

4 unique targets

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
85.95

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4572060

Name:
2-tert-butoxy-2-(3-(chroman-6-yl)-1-(3-methoxyphen
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Mol. Formula:
C31H31NO5

M.W.:
497.59

Type:
Unknown

AlogP:
6.84

Polar Surface Area:
77.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4578898

Name:
N'-(2-Hydroxybenzoyl)-8-methoxy-2-oxo-2H-chromene-
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Mol. Formula:
C18H14N2O6

M.W.:
354.32

Type:
Unknown

AlogP:
1.58

Polar Surface Area:
117.87

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4589409

Name:
N'-(2-Hydroxy-3-methoxybenzoyl)-2-oxo-2H-chromene-
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Mol. Formula:
C18H14N2O6

M.W.:
354.32

2 activity values