Compounds

ALA2281806

Name:
2-(2-Fluoro-4-biphenylyl)-N-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidine-3-ylShow More⌵

Mol. Formula:
C24H20F2N2O2S

M.W.:
438.50

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2281805

Name:
2-(2-Fluoro-4-biphenylyl)-N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidine-3-ylShow More⌵

Mol. Formula:
C24H20F2N2O2S

M.W.:
438.50

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2281803

Name:
2-(2-Fluoro-4-biphenylyl)-N-[2-(4-nitrophenyl)-4-oxo-1,3-thiazolidine-3-yl]Show More⌵

Mol. Formula:
C24H20FN3O4S

M.W.:
465.51

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
92.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2281801

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(2-chlorophenyl))methylene]propanehydrazide

Mol. Formula:
C22H18ClFN2O

M.W.:
380.85

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2281799

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(4-chlorophenyl)methylene]propanehydrazide

Mol. Formula:
C22H18ClFN2O

M.W.:
380.85

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2281797

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(4-fluorophenyl)methylene]propanehydrazide

Mol. Formula:
C22H18F2N2O

M.W.:
364.40

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2281796

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(3-fluorophenyl)methylene]propanehydrazide

Mol. Formula:
C22H18F2N2O

M.W.:
364.40

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2281795

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(2-fluorophenyl)methylene]propanehydrazide

Mol. Formula:
C22H18F2N2O

M.W.:
364.40

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2281794

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-{[4-(trifluoromethyl)phenyl]methylidene}propanShow More⌵

Mol. Formula:
C23H18F4N2O

M.W.:
414.40

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2281793

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(2,4,6-trimethyl phenyl)methylene]propanehydrShow More⌵

Mol. Formula:
C25H25FN2O

M.W.:
388.49

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
41.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2281792

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(4-nitrophenyl)methylene]propanehydrazide

Mol. Formula:
C22H18FN3O3

M.W.:
391.40

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
84.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2281791

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(5-nitro-2-furyl)methylene]propanehydrazide

Mol. Formula:
C20H16FN3O4

M.W.:
381.36

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
97.74

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2281790

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(3-benzyl-4-oxo-1,3-thiazolidine-2-ylidene]prShow More⌵

Mol. Formula:
C25H22FN3O2S

M.W.:
447.54

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
61.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2281789

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(3-allyl-4-oxo-1,3-thiazolidine-2-ylidene]proShow More⌵

Mol. Formula:
C21H20FN3O2S

M.W.:
397.48

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
61.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2281787

Name:
2-(2-Fluorobiphenyl-4-yl)-N'-[(3-methyl-4-oxo-1,3-thiazolidine-2-ylidene]prShow More⌵

Mol. Formula:
C19H18FN3O2S

M.W.:
371.44

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
61.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2281786

Name:
2-[2-(2-Fluorobiphenyl-4-yl)propanoyl]-N-cyclohexyl hydrazinecarbothioamide

Mol. Formula:
C22H26FN3OS

M.W.:
399.54

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2281785

Name:
2-[2-(2-Fluorobiphenyl-4-yl)propanoyl]-N-benzyl hydrazinecarbothioamide

Mol. Formula:
C23H22FN3OS

M.W.:
407.51

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2281784

Name:
2-[2-(2-Fluorobiphenyl-4-yl)propanoyl]-N-phenyl hydrazinecarbothioamide

Mol. Formula:
C22H20FN3OS

M.W.:
393.49

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2281783

Name:
2-[2-(2-Fluorobiphenyl-4-yl)propanoyl]-N-allyl hydrazinecarbothioamide

Mol. Formula:
C19H20FN3OS

M.W.:
357.45

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2281782

Name:
2-[2-(2-Fluorobiphenyl-4-yl)propanoyl]-N-n-butyl hydrazinecarbothioamide

Mol. Formula:
C20H24FN3OS

M.W.:
373.50

31 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
53.16

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS