Compounds

ALA2071011

Name:
(R)-N-(4-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)
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Mol. Formula:
C23H19F6N3O5S2

M.W.:
595.54

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
97.83

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2071010

Name:
(R)-1-(4-chlorophenylsulfonyl)-N-(5-(4-methoxyphen
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Mol. Formula:
C21H21ClN4O4S2

M.W.:
493.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
101.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2071009

Name:
(R)-N-(5-(benzofuran-5-yl)-1,3,4-thiadiazol-2-yl)-
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Mol. Formula:
C23H22N4O4S2

M.W.:
482.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
105.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2071008

Name:
(R)-N-(5-(benzofuran-5-yl)thiazol-2-yl)-1-tosylpip
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Mol. Formula:
C24H23N3O4S2

M.W.:
481.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
92.51

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2071007

Name:
(R)-N-(5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl)-
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Mol. Formula:
C22H24N4O4S2

M.W.:
472.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
101.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2071006

Name:
(R)-N-(5-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpip
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Mol. Formula:
C23H25N3O4S2

M.W.:
471.60

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
88.60

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2071005

Name:
(R)-1-tosyl-N-(4-(4-(trifluoromethoxy)phenyl)thiaz
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Mol. Formula:
C23H22F3N3O4S2

M.W.:
525.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
88.60

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2071004

Name:
(R)-N-(4-(benzofuran-5-yl)thiazol-2-yl)-1-tosylpip
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Mol. Formula:
C24H23N3O4S2

M.W.:
481.60

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
92.51

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2071003

Name:
(R)-N-(benzo[d]thiazol-2-yl)-1-tosylpiperidine-2-c
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Mol. Formula:
C20H21N3O3S2

M.W.:
415.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2071002

Name:
(R)-N-(thiazol-2-yl)-1-tosylpiperidine-2-carboxami
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Mol. Formula:
C16H19N3O3S2

M.W.:
365.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2071001

Name:
(R)-N-(4-(4-chlorophenyl)thiazol-2-yl)-1-tosylpipe
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Mol. Formula:
C22H22ClN3O3S2

M.W.:
476.02

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2071000

Name:
(R)-N-(4-(4-nitrophenyl)thiazol-2-yl)-1-tosylpiper
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Mol. Formula:
C22H22N4O5S2

M.W.:
486.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
122.51

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2070999

Name:
(R)-N-(4-p-tolylthiazol-2-yl)-1-tosylpiperidine-2-
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Mol. Formula:
C23H25N3O3S2

M.W.:
455.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2070998

Name:
(R)-N-(4-(4-fluorophenyl)thiazol-2-yl)-1-tosylpipe
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Mol. Formula:
C22H22FN3O3S2

M.W.:
459.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2070997

Name:
(R)-N-(4-phenylthiazol-2-yl)-1-tosylpiperidine-2-c
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Mol. Formula:
C22H23N3O3S2

M.W.:
441.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2070996

Name:
(R)-N-(4-(4-isopropylphenyl)thiazol-2-yl)-1-tosylp
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Mol. Formula:
C25H29N3O3S2

M.W.:
483.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2070995

Name:
(R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-2-(4-methy
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Mol. Formula:
C20H21N3O4S2

M.W.:
431.54

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070994

Name:
(R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-3-methyl-2
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Mol. Formula:
C22H25N3O4S2

M.W.:
459.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2070993

Name:
(R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-3,3-dimeth
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Mol. Formula:
C23H27N3O4S2

M.W.:
473.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2070992

Name:
N-(4-(4-methoxyphenyl)thiazol-2-yl)-3-(4-methylphe
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Mol. Formula:
C20H21N3O4S2

M.W.:
431.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS