Compounds

ALA4577490

Name:
(E)-3-((6-(pyridin-3-yl)imidazo[2,1-b]thiazol-5-yl)methylene)-1,3-dihydro-2Show More⌵

Mol. Formula:
C23H14N4OS

M.W.:
394.46

57 activity values

15 unique targets

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
59.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4576372

Name:
(Z)-5-hydroxy-3-((6-(pyridin-4-yl)imidazo[2,1-b]thiazol-5-yl)methylene)indoShow More⌵

Mol. Formula:
C19H12N4O2S

M.W.:
360.40

18 activity values

9 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
79.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4566972

Name:
(E)-3-((6-methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methylene)-1,3-dihydroShow More⌵

Mol. Formula:
C20H15N3O2S

M.W.:
361.43

25 activity values

9 unique targets

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4552056

Name:
(Z)-5-methoxy-1-methyl-3-((6-(pyridin-4-yl)imidazo[2,1-b]thiazol-5-yl)methyShow More⌵

Mol. Formula:
C21H16N4O2S

M.W.:
388.45

21 activity values

9 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
59.73

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4548139

Name:
(E/Z)-3-((6-Methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methylene)-1-methyliShow More⌵

Mol. Formula:
C17H15N3O2S

M.W.:
325.39

23 activity values

9 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
46.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4545473

Name:
(E/Z)-3-((6-(Pyridin-4-yl)imidazo[2,1-b]thiazol-5-yl)methylene)indolin-2-onShow More⌵

Mol. Formula:
C19H12N4OS

M.W.:
344.40

22 activity values

9 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
59.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4543594

Name:
(E)-3-((6-methyl-[5,6'-biimidazo[2,1-b]thiazol]-5'-yl)methylene)indolin-2-oShow More⌵

Mol. Formula:
C21H15N5OS2

M.W.:
417.52

24 activity values

9 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
63.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4535010

Name:
(E/Z)-3-((6-(Pyridin-4-yl)imidazo[2,1-b]thiazol-5-yl)methylene)-1,3-dihydroShow More⌵

Mol. Formula:
C23H14N4OS

M.W.:
394.46

71 activity values

18 unique targets

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
59.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4465637

Name:
(E/Z)-6-Chloro-3-((6-methyl-[5,6'-biimidazo[2,1-b]thiazol]-5'-yl)methylene)Show More⌵

Mol. Formula:
C21H14ClN5OS2

M.W.:
451.96

30 activity values

10 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
63.70

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4459411

Name:
(E)-5-methoxy-3-((6-methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methylene)inShow More⌵

Mol. Formula:
C17H15N3O3S

M.W.:
341.39

21 activity values

9 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4452311

Name:
(E/Z)-3-((6-Methyl-[5,6'-biimidazo[2,1-b]thiazol]-5'-yl)methylene)-1,3-dihyShow More⌵

Mol. Formula:
C25H17N5OS2

M.W.:
467.58

38 activity values

14 unique targets

Type:
Unknown

AlogP:
6.03

Polar Surface Area:
63.70

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4445913

Name:
(E)-5-hydroxy-3-((6-methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methylene)inShow More⌵

Mol. Formula:
C16H13N3O3S

M.W.:
327.37

20 activity values

9 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
75.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4444124

Name:
(E)-3-((6-methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methylene)indolin-2-onShow More⌵

Mol. Formula:
C16H13N3O2S

M.W.:
311.37

32 activity values

11 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4438358

Name:
(E)-4,5,6-trimethoxy-3-((6-methoxy-2-methylimidazo[2,1-b]thiazol-5-yl)methyShow More⌵

Mol. Formula:
C19H19N3O5S

M.W.:
401.44

23 activity values

9 unique targets

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
83.32

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3967941

Name:
3-benzyl-6,7-dimethoxy-2-(3,4,5-trimethoxybenzylthio)quinazolin-4(3H)-one

Mol. Formula:
C27H28N2O6S

M.W.:
508.60

99 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
81.04

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3947164

Name:
3-benzyl-6-chloro-2-(3,4,5-trimethoxybenzylthio)quinazolin-4(3H)-one

Mol. Formula:
C25H23ClN2O4S

M.W.:
482.99

91 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
62.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3946592

Name:
6-chloro-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylthio)quinazolin-4(3H)Show More⌵

Mol. Formula:
C25H23ClN2O5S

M.W.:
498.99

91 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
71.81

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3938255

Name:
3-(2,4-dimethoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazolin-4Show More⌵

Mol. Formula:
C27H28N2O6S

M.W.:
508.60

91 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
81.04

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3929211

Name:
3-(4-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazolin-4(3H)Show More⌵

Mol. Formula:
C26H26N2O5S

M.W.:
478.57

90 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
71.81

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3752113

Name:
2-(2,2-dichloroacetamido)-N,N-bis(2-(2,2-dichloroacetamido)ethyl)-N-methyleShow More⌵

Mol. Formula:
C15H21Cl6F3N4O5

M.W.:
607.07

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS