Compounds

ALA5280284

Name:

Mol. Formula:
C18H10N4O3

M.W.:
330.30

Type:
---

AlogP:
2.16

Polar Surface Area:
99.53

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5286791

Name:
N-(6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl)-6-(1-hydroxy-2-methylpropShow More⌵

Mol. Formula:
C20H20N6O2

M.W.:
376.42

Type:
---

AlogP:
2.64

Polar Surface Area:
108.20

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5283453

Name:
6-tert-butyl-N-(6-(pyridin-4-yl)imidazo[1,2-a]pyridin-2-yl)nicotinamide

Mol. Formula:
C22H21N5O

M.W.:
371.44

Type:
---

AlogP:
4.34

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5206943

Name:
5-Chloro-2-methoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C18H14ClNO4S

M.W.:
375.83

21 activity values

17 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5206938

Name:
5-Methoxybenzo[b]thiophene-2-carboxylic acid (2,3-dihydrobenzo[1,4]dioxin-5Show More⌵

Mol. Formula:
C19H15NO5S

M.W.:
369.40

2 activity values

1 unique targets

Type:
---

AlogP:
3.25

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5206862

Name:
2,5-Difluoro-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C17H11F2NO3S

M.W.:
347.34

2 activity values

1 unique targets

Type:
---

AlogP:
3.76

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5205729

Name:
N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C17H13NO3S

M.W.:
311.36

2 activity values

1 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5205505

Name:
4-Fluoro-2-methoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C18H14FNO4S

M.W.:
359.38

20 activity values

17 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5204634

Name:
2,4-Dimethoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C19H17NO5S

M.W.:
371.41

3 activity values

2 unique targets

Type:
---

AlogP:
3.50

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5202672

Name:
6-Methoxy-pyridine-2-carboxylic acid (5-methoxybenzo[b]thiophene-2-carbonylShow More⌵

Mol. Formula:
C17H14N2O4S

M.W.:
342.38

2 activity values

1 unique targets

Type:
---

AlogP:
2.88

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5201559

Name:
5-Chloro-2-methoxy-N-(5-methoxy-benzo[b]thiophene-2-carbonyl)-nicotinamide

Mol. Formula:
C17H13ClN2O4S

M.W.:
376.82

2 activity values

1 unique targets

Type:
---

AlogP:
3.54

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5200367

Name:
N-(6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl)-6-(tert-butyl)nicotinamidShow More⌵

Mol. Formula:
C20H20N6O

M.W.:
360.42

3 activity values

3 unique targets

Type:
---

AlogP:
3.67

Polar Surface Area:
87.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5200302

Name:
2-Chloro-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C17H12ClNO3S

M.W.:
345.81

2 activity values

1 unique targets

Type:
---

AlogP:
4.13

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5194308

Name:
4-Methoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C18H15NO4S

M.W.:
341.39

1 activity values

1 unique targets

Type:
---

AlogP:
3.49

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5194284

Name:
N-(5-methoxybenzo[b]thiophene-2-carbonyl)-2-propoxy-benzamide

Mol. Formula:
C20H19NO4S

M.W.:
369.44

2 activity values

1 unique targets

Type:
---

AlogP:
4.27

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5193643

Name:
2-Methoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-5-methylbenzamide

Mol. Formula:
C19H17NO4S

M.W.:
355.42

2 activity values

1 unique targets

Type:
---

AlogP:
3.80

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5191767

Name:
Isoxazole-5-carboxylic acid (5-methoxybenzo[b]thiophene-2-carbonyl)-amide

Mol. Formula:
C14H10N2O4S

M.W.:
302.31

2 activity values

1 unique targets

Type:
---

AlogP:
2.47

Polar Surface Area:
81.43

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5191525

Name:
6-Fluoro-pyridine-2-carboxylic acid (5-methoxybenzo[b]thiophene-2-carbonyl)Show More⌵

Mol. Formula:
C16H11FN2O3S

M.W.:
330.34

6 activity values

4 unique targets

Type:
---

AlogP:
3.01

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5191395

Name:
N-(3,5-difluorobenzyl)-5-methoxy-N-methylbenzo[b]thiophene-2-carboxamide

Mol. Formula:
C18H15F2NO2S

M.W.:
347.39

5 activity values

4 unique targets

Type:
---

AlogP:
4.46

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5191255

Name:
3-Fluoro-4-methoxy-N-(5-methoxybenzo[b]thiophene-2-carbonyl)-benzamide

Mol. Formula:
C18H14FNO4S

M.W.:
359.38

2 activity values

1 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS