Compounds

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA347852

Name:
3-Methoxy-2-[2-(2-piperidin-1-yl-phenylmethanesulf
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Mol. Formula:
C21H24N4O2S

M.W.:
396.52

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA157828

Name:
4-{2-[1-(3-Methoxy-pyridin-2-yl)-1H-imidazole-2-su
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Mol. Formula:
C20H22N4O3S

M.W.:
398.49

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
75.47

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA158074

Name:
3-Methoxy-2-[2-(2-pyrrol-1-yl-phenylmethanesulfiny
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Mol. Formula:
C20H18N4O2S

M.W.:
378.46

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
67.93

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA435446

Name:
N-[2-(1-Pyridin-2-yl-1,4,5,6-tetrahydro-cyclopenta
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Mol. Formula:
C20H20N4O2S

M.W.:
380.47

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
82.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA155764

Name:
N-{2-[1-(3-Methoxy-pyridin-2-yl)-1H-imidazole-2-su
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Mol. Formula:
C18H18N4O3S

M.W.:
370.43

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
92.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA348619

Name:
1-Pyridin-2-yl-2-(2-pyrrol-1-yl-phenylmethanesulfi
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Mol. Formula:
C22H20N4OS

M.W.:
388.50

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
58.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA347648

Name:
Diethyl-{2-[1-(3-methyl-pyridin-2-yl)-1,4,5,6-tetr
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Mol. Formula:
C23H28N4OS

M.W.:
408.57

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA157607

Name:
Diethyl-[2-(1-pyridin-2-ylmethyl-1,4,5,6-tetrahydr
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Mol. Formula:
C23H28N4OS

M.W.:
408.57

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA156239

Name:
Diethyl-[2-(1-pyridin-3-yl-1,4,5,6-tetrahydro-cycl
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Mol. Formula:
C22H26N4OS

M.W.:
394.54

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA158080

Name:
Diethyl-[2-(1-pyridin-4-yl-1,4,5,6-tetrahydro-cycl
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Mol. Formula:
C22H26N4OS

M.W.:
394.54

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA347850

Name:
3-Methyl-2-[2-(2-pyrrol-1-yl-phenylmethanesulfinyl
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Mol. Formula:
C20H18N4OS

M.W.:
362.46

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
58.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA154018

Name:
Diethyl-{2-[1-(3-methoxy-pyridin-2-yl)-1H-imidazol
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Mol. Formula:
C20H24N4O2S

M.W.:
384.51

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA261951

Name:
2-(4-Methoxy-pyridin-2-ylmethanesulfinyl)-6-phenyl
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Mol. Formula:
C18H15N3O2S2

M.W.:
369.47

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA141979

Name:
6-(4-Methoxy-phenyl)-2-(4-methoxy-pyridin-2-ylmeth
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Mol. Formula:
C19H17N3O3S2

M.W.:
399.50

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA141803

Name:
2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methyl-p
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Mol. Formula:
C16H12F7N3O2S2

M.W.:
475.41

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA342389

Name:
2-[5-Chloro-4-(2,2,3,3,3-pentafluoro-propoxy)-pyri
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Mol. Formula:
C14H9ClF5N3O2S2

M.W.:
445.82

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA140420

Name:
1-[2-(5-Methyl-pyridin-2-ylmethanesulfinyl)-3H-thi
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Mol. Formula:
C14H13N3O2S2

M.W.:
319.41

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA140419

Name:
2-(4-Methoxy-pyridin-2-ylmethanesulfinyl)-3H-thien
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Mol. Formula:
C14H13N3O4S2

M.W.:
351.41

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
100.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA93579

Name:
1-[8-(3-Dimethylamino-propoxy)-4-(4-fluoro-2-methy
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Mol. Formula:
C25H30FN3O2

M.W.:
423.53