Compounds

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
80.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2314122

Name:
[11C-carbonyl]-3-(4,5-Dihydrooxazol-2-yl)phenyl Cy
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Mol. Formula:
C15H18N2O4

M.W.:
289.32

4 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
80.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2314121

Name:
[11C-carbonyl]-3-(4,5-Dihydrooxazol-2-yl)phenyl Cy
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Mol. Formula:
C16H20N2O4

M.W.:
303.35

4 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
80.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2314120

Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl Hexy
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Mol. Formula:
C19H23NO3

M.W.:
312.40

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2314119

Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl Cycl
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Mol. Formula:
C17H17NO3

M.W.:
282.33

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2314118

Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl Cycl
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Mol. Formula:
C18H19NO3

M.W.:
296.35

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2314117

Name:
[11C-carbonyl]-3'-Carbamoyl-[1,1'-biphenyl]-3-yl C
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Mol. Formula:
C20H22N2O3

M.W.:
337.41

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
81.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2314116

Name:
[11C-carbonyl]-6-hydroxybiphenyl-3-yl cyclohexylca
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Cas Number:
1267658-49-0

Mol. Formula:
C19H21NO3

M.W.:
310.38

4 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA1762817

Name:
[76Br]-8-(4-bromo-2-chlorophenyl)-N,N-bis(2-methox
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Mol. Formula:
C19H23BrClN5O2

M.W.:
464.80

3 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
64.78

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1091847

Name:
1-Propyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]
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Mol. Formula:
C12H13F3N4OS

M.W.:
318.32

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
70.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1091846

Name:
1-Ethyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]g
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Mol. Formula:
C11H11F3N4OS

M.W.:
304.30

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
70.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1091845

Name:
1-(4-Fluorophenyl)-3-[6-(trifluoromethoxy)benzothi
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Mol. Formula:
C15H9F4N3OS2

M.W.:
387.38

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1091509

Name:
1-Phenyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]
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Mol. Formula:
C15H10F3N3OS2

M.W.:
369.39

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1090093

Name:
1-Butyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]t
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Mol. Formula:
C13H14F3N3OS2

M.W.:
349.40

14 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1090092

Name:
1-Isopropyl-3-[6-(trifluoromethoxy)benzothiazol-2-
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Mol. Formula:
C12H12F3N3OS2

M.W.:
335.38

7 activity values

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1093767

Name:
1-Propyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]
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Mol. Formula:
C12H12F3N3OS2

M.W.:
335.38

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1093766

Name:
1-Ethyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]t
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Mol. Formula:
C11H10F3N3OS2

M.W.:
321.35

7 activity values

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
46.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1093765

Name:
N,N-Dipropyl-N'-[6-(trifluoromethoxy)benzothiazol-
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Mol. Formula:
C16H20F3N3OS

M.W.:
359.42

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
37.72

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1092179

Name:
N,N-Diethyl-N'-[6-(trifluoromethoxy)benzothiazol-2
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Mol. Formula:
C14H16F3N3OS

M.W.:
331.36

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
37.72

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1092178

Name:
N,N-Dimethyl-N'-[6-(trifluoromethoxy)benzothiazol-
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Mol. Formula:
C12H12F3N3OS

M.W.:
303.31

7 activity values