Compounds

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4088931

Name:
3-{(6-Carbamoyl-4,5-dihydrothieno[3,4-g][1,2]benzi
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Mol. Formula:
C16H13N3O3S2

M.W.:
359.43

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
92.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4086487

Name:
8-[(6-Acetamidopyridin-3-yl)oxy]-4,5-dihydrothieno
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Mol. Formula:
C17H14N4O3S2

M.W.:
386.46

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
107.20

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4083552

Name:
8-Phenoxy-4,5-dihydrothieno[3,4-g][1,2]benzisothia
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Mol. Formula:
C16H12N2O2S2

M.W.:
328.42

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
65.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4074204

Name:
8-[(6-Aminopyridin-3-yl)oxy]-4,5-dihydrothieno[3,4
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Mol. Formula:
C15H12N4O2S2

M.W.:
344.42

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
104.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4072372

Name:
8-[(5-Methylpyridin-3-yl)oxy]-4,5-dihydrothieno[3,
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Mol. Formula:
C16H13N3O2S2

M.W.:
343.43

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4070408

Name:
8-[(2-Methylpyridin-3-yl)oxy]-4,5-dihydrothieno[3,
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Mol. Formula:
C16H13N3O2S2

M.W.:
343.43

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4069854

Name:
8-(Methoxy)-4,5-dihydrothieno[3,4-g][1,2]benzisoth
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Mol. Formula:
C11H10N2O2S2

M.W.:
266.35

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
65.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4076395

Name:
8-[(6-N-Methylcarbamoylpyridin-3-yl)oxy]-4,5-dihyd
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Mol. Formula:
C17H14N4O3S2

M.W.:
386.46

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
107.20

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4063680

Name:
8-[(6-N,N-Dimethylcarbamoylpyridin-3-yl)oxy]-4,5-d
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Mol. Formula:
C18H16N4O3S2

M.W.:
400.49

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
98.41

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4062244

Name:
8-[(6-Methylpyridin-3-yl)oxy]-4,5-dihydrothieno[3,
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Mol. Formula:
C16H13N3O2S2

M.W.:
343.43

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4061783

Name:
8-(Pyridin-2-yloxy)-4,5-dihydrothieno[3,4-g][1,2]b
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Mol. Formula:
C15H11N3O2S2

M.W.:
329.41

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
78.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4061525

Name:
8-[(6-N-Methylaminopyridin-3-yl)oxy]-4,5-dihydroth
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Mol. Formula:
C16H14N4O2S2

M.W.:
358.45

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
90.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4060856

Name:
8-[(6-Carbamoylpyridin-3-yl)oxy]-4,5-dihydrothieno
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Mol. Formula:
C16H12N4O3S2

M.W.:
372.43

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
121.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4060714

Name:
8-[(4-Methylpyridin-3-yl)oxy]-4,5-dihydrothieno[3,
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Mol. Formula:
C16H13N3O2S2

M.W.:
343.43