Compounds

ALA4102114

Name:
N-Methyl-2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyShow More⌵

Mol. Formula:
C19H19N3OS

M.W.:
337.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4101951

Name:
6-Fluoro-2-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]Show More⌵

Mol. Formula:
C16H14FN3S

M.W.:
299.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
29.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4099464

Name:
6-Fluoro-2-((4-(prop-1-en-2-yl)pyridin-3-yl)methyl)-1,2,3,4-tetrahydrobenzoShow More⌵

Mol. Formula:
C20H19FN2S

M.W.:
338.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4099128

Name:
6-Methoxy-2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pShow More⌵

Mol. Formula:
C18H18N2OS

M.W.:
310.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
25.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4096103

Name:
6-Fluoro-2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyShow More⌵

Mol. Formula:
C17H15FN2S

M.W.:
298.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4093882

Name:
2-(Pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Mol. Formula:
C17H17N3

M.W.:
263.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4091391

Name:
6-Chloro-2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyShow More⌵

Mol. Formula:
C17H15ClN2S

M.W.:
314.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4090236

Name:
6-Fluoro-2-(isoquinolin-4-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-Show More⌵

Mol. Formula:
C21H17FN2S

M.W.:
348.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4085705

Name:
2-(Pyridin-3-ylmethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,Show More⌵

Mol. Formula:
C23H27BN2O2S

M.W.:
406.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4083961

Name:
6-Fluoro-2-[(5-methylpyridin-3-yl)methyl]-1,2,3,4-tetrahydrobenzo[4,5]thienShow More⌵

Mol. Formula:
C18H17FN2S

M.W.:
312.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4083609

Name:
2-(Pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyridine

Mol. Formula:
C17H16N2S

M.W.:
280.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4083029

Name:
2-((4-Cyclopropylpyridin-3-yl)methyl)-6-fluoro-1,2,3,4-tetrahydrobenzo[4,5]Show More⌵

Mol. Formula:
C20H19FN2S

M.W.:
338.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4078455

Name:
Tert-butyl (2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-cShow More⌵

Mol. Formula:
C22H25N3O2S

M.W.:
395.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
54.46

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4077854

Name:
2-(Pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyridine-6-Show More⌵

Mol. Formula:
C18H15N3S

M.W.:
305.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
39.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4077026

Name:
2-[(4-Bromopyridin-3-yl)methyl]-6-fluoro-1,2,3,4-tetrahydrobenzo[4,5]thienoShow More⌵

Mol. Formula:
C17H14BrFN2S

M.W.:
377.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4074529

Name:
N-(2-(Pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyridin-Show More⌵

Mol. Formula:
C19H19N3OS

M.W.:
337.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4072728

Name:
(6-Fluoro-3,4-dihydrobenzo[4,5]thieno[2,3-c]pyridin-2(1H)-yl)(pyridin-3-yl)Show More⌵

Mol. Formula:
C17H13FN2OS

M.W.:
312.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4072550

Name:
6-Fluoro-2-((4-isopropylpyridin-3-yl)methyl)-1,2,3,4-tetrahydrobenzo[4,5]thShow More⌵

Mol. Formula:
C20H21FN2S

M.W.:
340.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4072156

Name:
6-Methyl-2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyShow More⌵

Mol. Formula:
C18H18N2S

M.W.:
294.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4063548

Name:
6-Bromo-2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]thieno[2,3-c]pyrShow More⌵

Mol. Formula:
C17H15BrN2S

M.W.:
359.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
16.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS