Compounds

ALA4800209

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-phenylacetamide

Mol. Formula:
C16H12N2O4S

M.W.:
328.35

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4800060

Name:
N-(3-chloro-4-methylphenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidinShow More⌵

Mol. Formula:
C17H13ClN2O4S

M.W.:
376.82

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4799729

Name:
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxoShow More⌵

Mol. Formula:
C17H10ClF3N2O4S

M.W.:
430.79

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4796973

Name:
N-(4-chloro-2-(trifluoromethyl)phenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxoShow More⌵

Mol. Formula:
C17H10ClF3N2O4S

M.W.:
430.79

8 activity values

8 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4795670

Name:
N-(2-fluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)aceShow More⌵

Mol. Formula:
C16H11FN2O4S

M.W.:
346.34

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4793560

Name:
N-(benzo(dithiazol-2-yl)-2,4-5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3Show More⌵

Mol. Formula:
C17H11N3O4S2

M.W.:
385.43

33 activity values

12 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
92.51

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4792814

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(3-(trifluoromethylShow More⌵

Mol. Formula:
C17H11F3N2O4S

M.W.:
396.35

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4792057

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(4-phenoxylphenyl)aShow More⌵

Mol. Formula:
C22H16N2O5S

M.W.:
420.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
88.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4790051

Name:
N-(4-fluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)aceShow More⌵

Mol. Formula:
C16H11FN2O4S

M.W.:
346.34

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4789974

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(p-tolyl)acetamide

Mol. Formula:
C17H14N2O4S

M.W.:
342.38

8 activity values

8 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4789188

Name:
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(5-(furan-2-yShow More⌵

Mol. Formula:
C21H18N4O5S

M.W.:
438.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
106.55

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4788740

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(4-methoxylphenyl)aShow More⌵

Mol. Formula:
C17H14N2O5S

M.W.:
358.38

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
88.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4787432

Name:
N-(2,4-difluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-ylShow More⌵

Mol. Formula:
C16H10F2N2O4S

M.W.:
364.33

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4786111

Name:
N-(3,4-dichlorophenyl)-2,4-5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yShow More⌵

Mol. Formula:
C16H10Cl2N2O4S

M.W.:
397.24

16 activity values

11 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4785389

Name:
N-(4-bromophenyl)-2,4-5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)aceShow More⌵

Mol. Formula:
C16H11BrN2O4S

M.W.:
407.25

8 activity values

8 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4784553

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(thiazol-2-yl)acetaShow More⌵

Mol. Formula:
C13H9N3O4S2

M.W.:
335.37

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
92.51

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4783633

Name:
N-(3-fluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)aceShow More⌵

Mol. Formula:
C16H11FN2O4S

M.W.:
346.34

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4782075

Name:
N-(4-bromo-2,6-difluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazoliShow More⌵

Mol. Formula:
C16H9BrF2N2O4S

M.W.:
443.23

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4781684

Name:
N-(4-bromo-2-fluorophenyl)-2-(5-(furan-2-ylmethylene)-2,4-dioxothiazolidin-Show More⌵

Mol. Formula:
C16H10BrFN2O4S

M.W.:
425.24

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4781115

Name:
2-(5-(Furan-2-ylmethylene)-2,4-dioxothiazolidin-3-yl)-N-(4-nitrophenyl)acetShow More⌵

Mol. Formula:
C16H11N3O6S

M.W.:
373.35

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
122.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS