Compounds

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
42.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4476549

Name:
2-(2-((9-methyl-9H-carbazol-3-yl)methylene)hydrazi
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Mol. Formula:
C23H17N5O2S

M.W.:
427.49

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
85.35

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4476313

Name:
4-(2-(2-((9-methyl-9H-carbazol-3-yl)methylene)hydr
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Mol. Formula:
C23H18N4OS

M.W.:
398.49

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
62.44

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4525435

Name:
(E)-N-(1,2,3,4-Tetrahydroisoquinolin-7-yl)-2-(3-(t
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Mol. Formula:
C18H17F3N2O2S

M.W.:
382.41

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4524771

Name:
(E)-N-(4-((4-oxo-3-(2-oxo-2-phenylethyl)-2-thioxot
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Mol. Formula:
C20H16N2O3S2

M.W.:
396.49

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
66.48

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4521503

Name:
(E)-5-(2-methoxybenzylidene)-3-(2-oxo-2-phenylethy
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Mol. Formula:
C19H15NO3S2

M.W.:
369.47

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
46.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4531403

Name:
2-(2-((9-methyl-9H-carbazol-3-yl)methylene)hydrazi
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Mol. Formula:
C21H16N4S2

M.W.:
388.52

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
42.21

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4561020

Name:
3-(5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-yl)-5-((
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Mol. Formula:
C26H18N4O2S3

M.W.:
514.66

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.26

Polar Surface Area:
60.25

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4557760

Name:
4-(4-bromophenyl)-2-(2-((9-methyl-9H-carbazol-3yl)
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Mol. Formula:
C23H17BrN4S

M.W.:
461.39

Type:
Unknown

AlogP:
6.66

Polar Surface Area:
42.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4557555

Name:
N-(3-(Aminomethyl)phenyl)-2-(naphthalen-1-yl)ethan
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Mol. Formula:
C19H20N2O2S

M.W.:
340.45

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
72.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4557146

Name:
(E)-5-(2-chlorobenzylidene)-3-(2-oxo-2-phenylethyl
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Mol. Formula:
C18H12ClNO2S2

M.W.:
373.89

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
37.38

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4555906

Name:
(E)-5-(4-hydroxybenzylidene)-3-(2-oxo-2-phenylethy
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Mol. Formula:
C18H13NO3S2

M.W.:
355.44

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
57.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4555877

Name:
(E)-5-(4-bromobenzylidene)-3-(2-(4-methoxyphenyl)-
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Mol. Formula:
C19H14BrNO3S2

M.W.:
448.36

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
46.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4553751

Name:
(E)-5-(2-chlorobenzylidene)-3-(2-(4-methoxyphenyl)
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Mol. Formula:
C19H14ClNO3S2

M.W.:
403.91

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
46.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4552935

Name:
(E)-3-(2-oxo-2-phenylethyl)-2-thioxo-5-(3,4,5-trim
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Mol. Formula:
C21H19NO5S2

M.W.:
429.52

8 activity values

7 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
65.07

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4551433

Name:
Methyl (E)-4-((2-(3-(trifluoromethyl)phenyl)vinyl)
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Mol. Formula:
C17H14F3NO4S

M.W.:
385.36

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4569601

Name:
(E)-5-(3-methoxybenzylidene)-3-(2-oxo-2-phenylethy
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Mol. Formula:
C19H15NO3S2

M.W.:
369.47

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
46.61

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4568877

Name:
6-bromo-3-(2-(2-((9-methyl-9H-carbazol-3-yl)methyl
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Mol. Formula:
C26H17BrN4O2S

M.W.:
529.42

Type:
Unknown

AlogP:
6.77

Polar Surface Area:
72.42

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4568723

Name:
tert-Butyl-(E)-(4-((2-(3-(trifluoromethyl)phenyl)v
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Mol. Formula:
C20H21F3N2O4S

M.W.:
442.46

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4568422

Name:
(E)-5-(4-fluorobenzylidene)-3-(2-(4-methoxyphenyl)
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Mol. Formula:
C19H14FNO3S2

M.W.:
387.46