Compounds

ALA5280943

Name:
4-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-(isopropylcarbamoyl)benzenShow More⌵

Mol. Formula:
C20H19FN4O4S

M.W.:
430.46

Type:
---

AlogP:
2.43

Polar Surface Area:
110.16

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5279574

Name:
2-(3-(benzo[d]thiazol-2-yl)-1H-pyrrol-1-yl)acetic acid

Mol. Formula:
C13H10N2O2S

M.W.:
258.30

Type:
---

AlogP:
2.85

Polar Surface Area:
55.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5289027

Name:
5-((2,8-dimethoxy-5H-dibenzo[a,d][7]annulen-5-yl)methylene)thiazolidine-2,4Show More⌵

Mol. Formula:
C21H17NO4S

M.W.:
379.44

Type:
---

AlogP:
4.19

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5287998

Name:
2,8-dihydroxyspiro[dibenzo[a,d][7]annulene-5,3'-pyrrolidine]-2',5'-dione

Mol. Formula:
C18H13NO4

M.W.:
307.31

Type:
---

AlogP:
1.91

Polar Surface Area:
86.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5286592

Name:
2-(4-(benzo[d]thiazol-2-yl)-2-benzoyl-1H-pyrrol-1-yl)acetic acid

Mol. Formula:
C20H14N2O3S

M.W.:
362.41

Type:
---

AlogP:
4.08

Polar Surface Area:
72.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4798469

Name:
2-(7-(naphthalen-2-yl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C25H17NO4

M.W.:
395.41

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
72.44

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4795983

Name:
2-(7-([1,1'-biphenyl]-4-yl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C21H15NO4

M.W.:
345.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
72.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4795113

Name:
(E)-2-(2-oxo-7-styrylbenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C17H13NO4

M.W.:
295.29

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
72.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4793830

Name:
4-((1H-indol-1-yl)sulfonyl)phenol

Mol. Formula:
C14H11NO3S

M.W.:
273.31

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
59.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4793347

Name:
4-((1H-indol-2-yl)sulfonyl)phenol

Mol. Formula:
C14H11NO3S

M.W.:
273.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
70.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4790496

Name:
2-((1H-indol-1-yl)sulfonyl)phenol

Mol. Formula:
C14H11NO3S

M.W.:
273.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
59.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4789112

Name:
2-(8-(4-nitrostyryl)-2-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acid

Mol. Formula:
C18H14N2O6

M.W.:
354.32

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
109.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4788090

Name:
2-(7-(4-hydroxy-3-methoxyphenethyl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic aciShow More⌵

Mol. Formula:
C18H17NO6

M.W.:
343.34

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4786411

Name:
2-(7-(naphthalen-1-yl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C25H17NO4

M.W.:
395.41

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
72.44

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4784848

Name:
4-((1H-indol-1-yl)sulfonyl)-2-fluorophenol

Mol. Formula:
C14H10FNO3S

M.W.:
291.30

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
59.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4783596

Name:
(E)-2-(7-(3,4-dihydroxystyryl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C17H13NO6

M.W.:
327.29

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
112.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4782479

Name:
(E)-2-(7-(4-hydroxy-3-methoxystyryl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acShow More⌵

Mol. Formula:
C18H15NO6

M.W.:
341.32

47 activity values

6 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
101.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4781422

Name:
(E)-2-(7-(4-hydroxystyryl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C17H13NO5

M.W.:
311.29

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4778351

Name:
(E)-2-(6-(4-hydroxystyryl)-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C17H13NO5

M.W.:
311.29

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4761856

Name:
(E)-2-(2-oxo-6-styrylbenzo[d]oxazol-3(2H)-yl)acetic acid

Mol. Formula:
C17H13NO4

M.W.:
295.29

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
72.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS