Compounds

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
79.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4513495

Name:
(S)-4-Benzhydryl-9-hydroxy-2-methyl-3,4-dihydro-2H
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Mol. Formula:
C22H20N2O3

M.W.:
360.41

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4476501

Name:
3-Hydroxy-4-oxo-6-(4-phenoxyphenyl)-1,4-dihydropyr
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Mol. Formula:
C18H13NO5

M.W.:
323.30

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
99.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4475606

Name:
1,4-Bis(1-(pyridin-2-yl)-4,5-dihydro-1H-imidazol-2
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Mol. Formula:
C22H20N6

M.W.:
368.44

3 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
56.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4474376

Name:
(R)-4-Benzyl-9-hydroxy-2-(2-methoxyethyl)-1,8-diox
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Mol. Formula:
C19H20N2O6

M.W.:
372.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
109.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4540636

Name:
N-(2-(1H-indol-3-yl)ethyl)-5-hydroxy-2-methyl-4-ox
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Mol. Formula:
C17H16N2O4

M.W.:
312.32

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
95.33

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4539860

Name:
(S)-4-Benzhydryl-9-hydroxy-2-isopropyl-3,4-dihydro
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Mol. Formula:
C24H24N2O3

M.W.:
388.47

12 activity values

5 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
62.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4539596

Name:
6-(2-Ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyrid
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Mol. Formula:
C14H13NO4

M.W.:
259.26

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
90.39

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4537957

Name:
2-(((4-Chlorophenyl)(methyl)amino)methyl)-5-hydrox
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Mol. Formula:
C13H12ClNO3

M.W.:
265.70

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
53.68

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4536508

Name:
N-(4-fluorophenyl)-5-hydroxy-2-methyl-4-oxo-4H-pyr
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Mol. Formula:
C13H10FNO4

M.W.:
263.22

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
79.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4535896

Name:
5-Hydroxy-N,2-dimethyl-4-oxo-4H-pyran-3-carboxamid
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Mol. Formula:
C8H9NO4

M.W.:
183.16

Type:
Unknown

AlogP:
0.01

Polar Surface Area:
79.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4535893

Name:
3-Hydroxy-4-oxo-6-(p-tolyl)-1,4-dihydropyridine-2-
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Mol. Formula:
C13H11NO4

M.W.:
245.23

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
90.39

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4521998

Name:
N-((5-(benzyloxy)-4-oxo-4H-pyran-2-yl)methyl)metha
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Mol. Formula:
C7H9NO5S

M.W.:
219.22

Type:
Unknown

AlogP:
-0.61

Polar Surface Area:
96.61

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4521905

Name:
1-Benzhydryl-3-(furan-2-ylmethyl)-5-hydroxy-2,3-di
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Mol. Formula:
C25H21N3O4

M.W.:
427.46

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
78.92

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4535763

Name:
1-(4-Fluorobenzyl)-5-hydroxy-3-(2-methoxyethyl)-4,
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Mol. Formula:
C18H18FN3O6

M.W.:
391.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.59

Polar Surface Area:
112.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4535069

Name:
5-Hydroxy-2-methyl-1-(4-morpholinophenyl)pyridin-4
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Mol. Formula:
C16H18N2O3

M.W.:
286.33

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4534691

Name:
4-(5-Hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)-N-met
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Mol. Formula:
C13H14N2O4S

M.W.:
294.33

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
88.40

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4533340

Name:
1-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-hydroxy-2-me
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Mol. Formula:
C14H12N4O2

M.W.:
268.28

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
72.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4533284

Name:
1-Cyclohexyl-3-hydroxy-2-methylpyridin-4(1H)-one

Mol. Formula:
C12H17NO2

M.W.:
207.27

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA4533050

Name:
5-Hydroxy-2-methyl-4-oxo-N-phenethyl-4H-pyran-3-ca
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Mol. Formula:
C15H15NO4

M.W.:
273.29