Compounds

Type:
Unknown

AlogP:
6.48

Polar Surface Area:
63.25

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4513607

Name:
Phenethyl (E)-3-(2,4-dihydroxyphenyl)acrylate

Mol. Formula:
C17H16O4

M.W.:
284.31

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4476763

Name:
Myxochelin B4

Mol. Formula:
C20H25N3O5

M.W.:
387.44

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
144.91

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4476252

Name:
(E)-Phenethyl 3-(3,5-dihydroxyphenyl)acrylate

Mol. Formula:
C17H16O4

M.W.:
284.31

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4476080

Name:
(E)-N-(5-(3-(4-fluorophenyl)acryloyl)-4-methylthia
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Mol. Formula:
C20H15FN2O2S

M.W.:
366.42

4 activity values

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4474511

Name:
1-(4-(Benzo[d]thiazol-2-ylmethoxy)-3-methylphenyl)
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Mol. Formula:
C22H18ClN3O2S

M.W.:
423.93

Type:
Unknown

AlogP:
6.48

Polar Surface Area:
63.25

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4474339

Name:
Myxochelin B6

Mol. Formula:
C20H25N3O4

M.W.:
371.44

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
124.68

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4536679

Name:
Microsporol A

Mol. Formula:
C19H27ClO7

M.W.:
402.87

Type:
Unknown

AlogP:
1.09

Polar Surface Area:
135.29

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4522098

Name:
Myxochelin B5

Mol. Formula:
C20H25N3O5

M.W.:
387.44

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
144.91

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4521577

Name:
1-(4-(Benzo[d]thiazol-2-ylmethoxy)phenyl)-3-(2-chl
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Mol. Formula:
C21H16ClN3O2S

M.W.:
409.90

Type:
Unknown

AlogP:
6.17

Polar Surface Area:
63.25

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4534517

Name:
(E)-N-(5-(3-(3-bromophenyl)acryloyl)-4-methylthiaz
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Mol. Formula:
C20H15BrN2O2S

M.W.:
427.32

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4532066

Name:
(E)-N-(5-(3-(4-methoxyphenyl)acryloyl)-4-methylthi
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Mol. Formula:
C21H18N2O3S

M.W.:
378.45

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4559478

Name:
(E)-N-(5-(3-(4-chlorophenyl)acryloyl)-4-methylthia
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Mol. Formula:
C20H14ClN3O4S

M.W.:
427.87

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
102.20

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4559364

Name:
1-(4-(Benzo[d]thiazol-2-ylmethoxy)-3-methylphenyl)
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Mol. Formula:
C22H17Cl2N3O2S

M.W.:
458.37

Type:
Unknown

AlogP:
7.13

Polar Surface Area:
63.25

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4555415

Name:
Myxochelin B3

Mol. Formula:
C20H25N3O2

M.W.:
339.44

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
84.22

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4554244

Name:
(R)-2-((R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahyd
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Mol. Formula:
C22H30N2O2S

M.W.:
386.56

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4553505

Name:
(2E,4E)-5-(4-chlorophenyl)-1-(piperidin-1-yl)penta
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Mol. Formula:
C16H18ClNO

M.W.:
275.78

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4570357

Name:
(2E,4E)-5-(4-fluorophenyl)-1-(piperidin-1-yl)penta
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Mol. Formula:
C16H18FNO

M.W.:
259.32

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4569185

Name:
(E)-3-Phenylpropyl 3-(2,5-dihydroxyphenyl)acrylate

Mol. Formula:
C18H18O4

M.W.:
298.34

18 activity values

3 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4568577

Name:
(E)-N-(5-(3-(6-bromobenzo[d][1,3]dioxol-5-yl)acryl
Show More⌵

Mol. Formula:
C21H15BrN2O4S

M.W.:
471.33

8 activity values