Compounds

ALA4799041

Name:
(E)-6-(6-methoxy-7-methyl-3-oxo-4-(prop-2-yn-1-yloxy)-1,3-dihydroisobenzofuShow More⌵

Mol. Formula:
C20H22O6

M.W.:
358.39

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4798628

Name:
prop-2-yn-1-yl (E)-6-(6-methoxy-7-methyl-3-oxo-4-(prop-2-yn-1-yloxy)-1,3-diShow More⌵

Mol. Formula:
C23H24O6

M.W.:
396.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4753563

Name:
4-nitrobenzyl (E)-6-(6-methoxy-7-methyl-4-((4-nitrobenzyl)oxy)-3-oxo-1,3-diShow More⌵

Mol. Formula:
C31H30N2O10

M.W.:
590.59

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
157.34

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4747543

Name:
(E)-6-(6-methoxy-7-methyl-4-((4-nitrobenzyl)oxy)-3-oxo-1,3-dihydroisobenzofShow More⌵

Mol. Formula:
C24H25NO8

M.W.:
455.46

5 activity values

5 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
125.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4294459

Name:
(E)-2-(4-(3-(furan-2-yl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobenzofuranShow More⌵

Mol. Formula:
C23H17NO6

M.W.:
403.39

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
94.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4294098

Name:
(E)-N-(3,4-dimethoxyphenyl)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)phenoxy)aShow More⌵

Mol. Formula:
C27H27NO7

M.W.:
477.51

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
92.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4293441

Name:
(E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-(3-(4-ethoxyphenyl)acryloyl)pheShow More⌵

Mol. Formula:
C27H25NO6

M.W.:
459.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4292222

Name:
(E)-2-(4-(3-(4-fluorophenyl)-3-oxoprop-1-enyl)phenoxy)-N-(1-oxo-1,3-dihydroShow More⌵

Mol. Formula:
C25H18FNO5

M.W.:
431.42

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4291124

Name:
(E)-2-(4-(3-(4-ethoxyphenyl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobenzofShow More⌵

Mol. Formula:
C27H23NO6

M.W.:
457.48

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
90.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4290695

Name:
(E)-N-(3,4-dimethoxyphenyl)-2-(4-(3-(4-ethoxyphenyl)acryloyl)phenoxy)acetamShow More⌵

Mol. Formula:
C27H27NO6

M.W.:
461.51

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4290283

Name:
(E)-2-(4-(3-(2,6-difluorophenyl)acryloyl)phenoxy)-N-(3,4-dimethoxyphenyl)acShow More⌵

Mol. Formula:
C25H21F2NO5

M.W.:
453.44

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4289993

Name:
(E)-2-(3-(3-(3,4-dimethoxyphenyl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobShow More⌵

Mol. Formula:
C27H23NO7

M.W.:
473.48

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
100.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4289203

Name:
(E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-(3-(4-methoxyphenyl)acryloyl)phShow More⌵

Mol. Formula:
C26H23NO6

M.W.:
445.47

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4289201

Name:
(E)-N-(3,4-dimethoxyphenyl)-2-(4-(3-(3-methoxyphenyl)acryloyl)phenoxy)acetaShow More⌵

Mol. Formula:
C26H25NO6

M.W.:
447.49

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
83.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4288810

Name:
(E)-2-(4-(3-(4-(benzyloxy)phenyl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobShow More⌵

Mol. Formula:
C32H25NO6

M.W.:
519.55

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
90.93

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4287707

Name:
(E)-2-(4-(3-(4-butoxyphenyl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobenzofShow More⌵

Mol. Formula:
C29H27NO6

M.W.:
485.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
90.93

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4286876

Name:
(E)-N-(3,4-dimethoxyphenyl)-2-(4-(3-(thiophen-2-yl)acryloyl)phenoxy)acetamiShow More⌵

Mol. Formula:
C23H21NO5S

M.W.:
423.49

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
73.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4286567

Name:
(E)-2-(4-cinnamoylphenoxy)-N-(1-oxo-1,3-dihydroisobenzofuran-5-yl)acetamide

Mol. Formula:
C25H19NO5

M.W.:
413.43

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4286226

Name:
(E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-(3-(2,6-difluorophenyl)acryloylShow More⌵

Mol. Formula:
C25H19F2NO5

M.W.:
451.43

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
73.86

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4284315

Name:
(E)-2-(4-(3-(4-chlorophenyl)acryloyl)phenoxy)-N-(1-oxo-1,3-dihydroisobenzofShow More⌵

Mol. Formula:
C25H18ClNO5

M.W.:
447.87

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS