Compounds

ALA4765137

Name:
5-Hydroxy-4-oxo-4H-pyran-2-yl-methyl (E)-3-(2,3-di
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Mol. Formula:
C17H16O7

M.W.:
332.31

29 activity values

4 unique targets

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4797877

Name:
5-Hydroxy-4-oxo-4H-pyran-2-yl-methyl (E)-3-(2,5-di
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Mol. Formula:
C17H16O7

M.W.:
332.31

34 activity values

7 unique targets

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2282523

Name:
(S)-2-(2-benzoylphenyl)-2-hydroxy-3-(4-(2-(5-methy
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Mol. Formula:
C34H29NO6

M.W.:
547.61

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.02

Polar Surface Area:
109.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2282522

Name:
(S)-2-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b
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Mol. Formula:
C25H23NO5

M.W.:
417.46

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
81.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2282521

Name:
(S)-5-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b
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Mol. Formula:
C25H27NO6

M.W.:
437.49

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
91.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2282520

Name:
(S)-2-hydroxy-2-(2-(methoxycarbonyl)phenyl)-3-(4-(
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Mol. Formula:
C29H27NO7

M.W.:
501.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
119.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2282519

Name:
(R)-2-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b
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Mol. Formula:
C25H23NO5

M.W.:
417.46

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
81.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2282518

Name:
(S)-2-(2-benzoylphenyl)-2-hydroxy-3-(4-(2-(5-methy
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Mol. Formula:
C33H35N3O5S

M.W.:
585.73

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
103.20

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2282517

Name:
(S)-2-(2-benzoylphenyl)-2-hydroxy-3-(4-(2-(5-methy
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Mol. Formula:
C34H29NO5S

M.W.:
563.68

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
96.72

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA212813

Name:
2-ethoxy-3-(2-methyl-1-((5-methyl-2-(4-(trifluorom
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Mol. Formula:
C26H25F3N2O4

M.W.:
486.49

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
77.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA213782

Name:
2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy
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Mol. Formula:
C24H24N2O4

M.W.:
404.47

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
77.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA438088

Name:
2-ethoxy-3-(1-((2-(2-isopropoxyphenyl)-5-methyloxa
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Mol. Formula:
C27H30N2O5

M.W.:
462.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
86.72

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS