Compounds

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
57.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2289416

Name:
Prop-2-ynyl 4-(3,4-dimethoxyphenyl)-2-methylthiazo
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Mol. Formula:
C16H15NO4S

M.W.:
317.37

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
57.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289415

Name:
4-(3,4-Dimethoxyphenyl)-2-methylthiazole-5-carboxa
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Mol. Formula:
C13H14N2O3S

M.W.:
278.33

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
74.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2289414

Name:
N-(Phenyl)-4-(3,4-dimethoxyphenyl)-2-methylthiazol
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Mol. Formula:
C19H18N2O3S

M.W.:
354.43

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2289413

Name:
N-(1-Ethyl-1-methyl-prop-2-ynyl)-4-(3,4-dimethoxyp
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Mol. Formula:
C19H22N2O3S

M.W.:
358.46

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2289412

Name:
N-(1,1-Dimethyl-prop-2-ynyl)-4-(3,4-dimethoxypheny
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Mol. Formula:
C18H20N2O3S

M.W.:
344.44

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289411

Name:
N-[3-(1H-Imidazol-1-yl)propyl]-4-(3,4-dimethoxyphe
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Mol. Formula:
C19H22N4O3S

M.W.:
386.48

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289410

Name:
N,N-Dimethylamino-4-(3,4-dimethoxyphenyl)-2-methyl
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Mol. Formula:
C15H18N2O3S

M.W.:
306.39

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
51.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2289409

Name:
N,N-Diethyl-4-(3,4-dimethoxyphenyl)-2-methylthiazo
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Mol. Formula:
C17H22N2O3S

M.W.:
334.44

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
51.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2289397

Name:
Flucythrinate

Cas Number:
70124-77-5

Mol. Formula:
C26H23F2NO4

M.W.:
451.47

1 unique targets

Type:
Small molecule

AlogP:
6.63

Polar Surface Area:
68.55

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2289394

Name:
5-(methoxy(2-(((1-(4-(trifluoromethyl)phenyl)ethyl
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Mol. Formula:
C22H20F3N3O2

M.W.:
415.42

5 activity values

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
59.98

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2289186

Name:
4-[4-(3,4-Dimethoxyphenyl)-2-methylthiazole-5-carb
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Mol. Formula:
C17H20N2O4S

M.W.:
348.42

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
60.89

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289185

Name:
4-(3,4-Dimethoxyphenyl)-2-methylthiazole-5-carboxy
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Mol. Formula:
C13H13NO4S

M.W.:
279.32

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
68.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA2285709

Name:
Methyl 4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-
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Mol. Formula:
C14H15NO4S

M.W.:
293.34

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
57.65

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2288608

Name:
[(1-{6-[(4E,Z)-1,1-Difluoro-4-(methoxyimino)butyl]
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Mol. Formula:
C14H18F2N4O2S

M.W.:
344.39

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
87.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2288414

Name:
[{1-[6-(1,1-Difluorobut-3-en-1-yl)pyridin-3-yl]eth
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Mol. Formula:
C13H15F2N3OS

M.W.:
299.35

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
66.11

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2288412

Name:
({6-[chloro(difluoro)methyl]pyridin-3-yl}methyl)(m
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Mol. Formula:
C9H8ClF2N3OS

M.W.:
279.70

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
66.11

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2288411

Name:
(Methyl{[2-methyl-6-(trifluoromethyl)pyridin-3-yl]
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Mol. Formula:
C10H10F3N3OS

M.W.:
277.27

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
66.11

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2288410

Name:
1-[Methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-y
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Cas Number:
1186104-89-1

Mol. Formula:
C10H12F3N3O2S

M.W.:
295.29