Compounds

ALA4548267

Name:
4-Phenoxy-N-(5-phenylthiazol-2-yl)butanamide

Mol. Formula:
C19H18N2O2S

M.W.:
338.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4547664

Name:
4-((6-Chloropyridin-2-yl)oxy)-N-(5-methylthiazol-2
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Mol. Formula:
C13H14ClN3O2S

M.W.:
311.79

9 activity values

5 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4546726

Name:
N-(5-Bromopyridin-2-yl)-4-phenoxybutanamide

Mol. Formula:
C15H15BrN2O2

M.W.:
335.20

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4549436

Name:
N-(5-Cyanothiazol-2-yl)-4-phenoxybutanamide

Mol. Formula:
C14H13N3O2S

M.W.:
287.34

15 activity values

6 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
75.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4541346

Name:
4-(3-Methoxyphenoxy)-N-(5-methylthiazol-2-yl)butan
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Mol. Formula:
C15H18N2O3S

M.W.:
306.39

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4541304

Name:
4-(4-Chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-met
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Mol. Formula:
C17H21ClN2O2S

M.W.:
352.89

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4561296

Name:
4-(4-(Hydroxymethyl)phenoxy)-N-(5-methylthiazol-2-
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Mol. Formula:
C15H18N2O3S

M.W.:
306.39

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
71.45

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4559333

Name:
N-(5-Chlorothiazol-2-yl)-4-phenoxybutanamide

Mol. Formula:
C13H13ClN2O2S

M.W.:
296.78

8 activity values

4 unique targets

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4558058

Name:
N,N-Dimethyl-2-(4-phenoxybutanamido)thiazole-5-car
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Mol. Formula:
C16H19N3O3S

M.W.:
333.41

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4555472

Name:
N-(5-Methylthiazol-2-yl)-4-(3-(trifluoromethyl)phe
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Mol. Formula:
C15H15F3N2O2S

M.W.:
344.36

9 activity values

5 unique targets

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4555287

Name:
4-((5-Cyanopyridin-3-yl)oxy)-N-(5-methylthiazol-2-
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Mol. Formula:
C14H14N4O2S

M.W.:
302.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
87.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4554681

Name:
4-(4-Chloro-3-methylphenoxy)-N-methyl-N-(5-methylt
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Mol. Formula:
C16H19ClN2O2S

M.W.:
338.86

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4553355

Name:
N-(1-Methyl-1H-pyrazol-3-yl)-4-phenoxybutanamide

Mol. Formula:
C14H17N3O2

M.W.:
259.31

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4552693

Name:
4-(4-Chloro-3-methylphenoxy)-N-(5-chlorothiazol-2-
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Mol. Formula:
C14H14Cl2N2O2S

M.W.:
345.25

14 activity values

5 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4540359

Name:
4-(3-(Trifluoromethyl)phenoxy)-N-(5-(trifluorometh
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Mol. Formula:
C15H12F6N2O2S

M.W.:
398.33

14 activity values

6 unique targets

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4538648

Name:
4-(3,5-Dichlorophenoxy)-N-(5-methylthiazol-2-yl)bu
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Mol. Formula:
C14H14Cl2N2O2S

M.W.:
345.25

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4538496

Name:
N-(5-Methylthiazol-2-yl)-4-((5-(trifluoromethyl)py
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Mol. Formula:
C14H14F3N3O2S

M.W.:
345.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4538493

Name:
2-(4-Phenoxybutanamido)thiazole-5-carboxylic acid

Mol. Formula:
C14H14N2O4S

M.W.:
306.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
88.52

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4534433

Name:
4-(3,5-Difluorophenoxy)-N-(5-methylthiazol-2-yl)bu
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Mol. Formula:
C14H14F2N2O2S

M.W.:
312.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4533193

Name:
4-(3-Aminophenoxy)-N-(5-methylthiazol-2-yl)butanam
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Mol. Formula:
C14H17N3O2S

M.W.:
291.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
77.24

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS