Compounds

ALA4579781

Name:
6-Chloro-3'-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methylShow More⌵

Mol. Formula:
C21H16ClNO6S

M.W.:
445.88

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
100.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4579533

Name:
3-Chloro-4-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methShow More⌵

Mol. Formula:
C19H14ClNO7S

M.W.:
435.84

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
114.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4578935

Name:
4-chloro-3-(5-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)bShow More⌵

Mol. Formula:
C16H10ClNO5S

M.W.:
363.78

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
87.82

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4578195

Name:
(Z)-4-(Benzyloxy)-3-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-yliShow More⌵

Mol. Formula:
C26H21NO8S

M.W.:
507.52

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
123.35

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4577809

Name:
ethyl 2-(2,4-dioxo-5-((5-(piperidin-1-yl)furan-2-yl)methylene)thiazolidin-3Show More⌵

Mol. Formula:
C17H20N2O5S

M.W.:
364.42

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
80.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4574162

Name:
4-chloro-3-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)metShow More⌵

Mol. Formula:
C18H12ClNO7S

M.W.:
421.81

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
114.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4572812

Name:
ethyl 2-(5-((5-(4-chloro-3-nitrophenyl)furan-2-yl)methylene)-2,4-dioxothiazShow More⌵

Mol. Formula:
C18H13ClN2O7S

M.W.:
436.83

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
119.96

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4565844

Name:
ethyl 2-(5-((5-(2-chloro-4-nitrophenyl)furan-2-yl)methylene)-2,4-dioxothiazShow More⌵

Mol. Formula:
C18H13ClN2O7S

M.W.:
436.83

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
119.96

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4559664

Name:
4-Chloro-3-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxoimidazolidin-1-yl)methyl)fShow More⌵

Mol. Formula:
C19H17ClN2O7

M.W.:
420.81

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
117.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4558690

Name:
ethyl 2-(2,4-dioxo-5-((5-(phenylthio)furan-2-yl)methylene)thiazolidin-3-yl)Show More⌵

Mol. Formula:
C18H15NO5S2

M.W.:
389.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
76.82

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4557351

Name:
3-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-Show More⌵

Mol. Formula:
C20H17NO7S

M.W.:
415.42

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
114.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4551494

Name:
(Z)-Ethyl 2-(5-(3-(1H-Tetrazol-5-yl)benzylidene)-2,4-dioxothiazolidin-3-yl)Show More⌵

Mol. Formula:
C15H13N5O4S

M.W.:
359.37

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
118.14

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4524413

Name:
6-Chloro-4'-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methylShow More⌵

Mol. Formula:
C21H16ClNO6S

M.W.:
445.88

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
100.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4521126

Name:
(Z)-2-(3-((3-(2-Ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-4Show More⌵

Mol. Formula:
C16H15NO7S

M.W.:
365.36

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
121.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4517988

Name:
3-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-Show More⌵

Mol. Formula:
C19H14FNO7S

M.W.:
419.39

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
114.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4476456

Name:
(Z)-2-(3-((3-(2-Ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phShow More⌵

Mol. Formula:
C16H15NO6S

M.W.:
349.36

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
100.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4476112

Name:
ethyl 2-(5-((5-methylfuran-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetatShow More⌵

Mol. Formula:
C13H13NO5S

M.W.:
295.32

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
76.82

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4473763

Name:
4-chloro-3-(5-((3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxothiazolidin-5-ylideShow More⌵

Mol. Formula:
C19H14ClNO7S

M.W.:
435.84

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
114.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4468621

Name:
(Z)-5-((3-(2-Ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)-methyl)-2-hShow More⌵

Mol. Formula:
C15H13NO7S

M.W.:
351.34

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
121.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4467990

Name:
ethyl 2-(5-((5-(2-chloro-5-nitrophenyl)furan-2-yl)methylene)-2,4-dioxothiazShow More⌵

Mol. Formula:
C18H13ClN2O7S

M.W.:
436.83

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
119.96

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS