Compounds

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
125.62

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4876637

Name:
4-(((2-Chloro-8-methylquinolin-3-yl)methylene)amin
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Mol. Formula:
C24H22ClN5O4S

M.W.:
511.99

15 activity values

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
103.62

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4876293

Name:
4-(((2-Hydroxyquinolin-3-yl)methylene)amino)-6-(th
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Mol. Formula:
C18H13N5O2S2

M.W.:
395.47

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
96.16

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4872636

Name:
4-(((2-Hydroxy-6-methylquinolin-3-yl)methylene)ami
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Mol. Formula:
C24H23N5O5S

M.W.:
493.55

13 activity values

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
123.85

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4869763

Name:
4-(((2-Hydroxy-7-methoxyquinolin-3-yl)methylene)am
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Mol. Formula:
C24H23N5O6S

M.W.:
509.54

13 activity values

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
133.08

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5286507

Name:
2-[(4Z)-5-oxo-4-[(4-sulfamoylphenyl)hydrazono]pyra
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Mol. Formula:
C16H13N5O5S

M.W.:
387.38

Type:
---

AlogP:
0.83

Polar Surface Area:
154.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5282318

Name:
ethyl (2S)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]pr
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Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
---

AlogP:
0.05

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282083

Name:
ethyl (2S)-3-hydroxy-2-[(4-hydroxybenzoyl)amino]pr
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Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
---

AlogP:
0.05

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280862

Name:
2-((4-methoxypyridin-2-yl)amino)-5,7-dimethylpyraz
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Mol. Formula:
C15H14N6O

M.W.:
294.32

Type:
---

AlogP:
2.37

Polar Surface Area:
88.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5278316

Name:
2-[(2Z)-2-[5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-yl
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Mol. Formula:
C16H13N5O5S

M.W.:
387.38

Type:
---

AlogP:
0.83

Polar Surface Area:
154.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278118

Name:
5-amino-3-((4-methoxypyridin-2-yl)amino)-1H-pyrazo
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Mol. Formula:
C10H10N6O

M.W.:
230.23

Type:
---

AlogP:
1.01

Polar Surface Area:
112.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4867950

Name:
6-Benzyl-4-(((6-(benzyloxy)-2-hydroxyquinolin-3-yl
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Mol. Formula:
C27H21N5O3S

M.W.:
495.56

15 activity values

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
105.39

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4867924

Name:
ethyl 5-amino-1-(2-(4-chlorophenyl)-6-methoxyquino
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Mol. Formula:
C23H19ClN4O4

M.W.:
450.88

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
109.33

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4865603

Name:
5-(4-methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)
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Mol. Formula:
C22H18N4O2

M.W.:
370.41

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
66.82

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4859626

Name:
(6-chloro-2-(2-(1-(4-chlorophenyl)-3-(4-methoxyphe
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Mol. Formula:
C32H26Cl2N4O3

M.W.:
585.49

Type:
Unknown

AlogP:
7.05

Polar Surface Area:
69.48

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4857790

Name:
6-Benzyl-4-(((2-hydroxy-6-methylquinolin-3-yl)meth
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Mol. Formula:
C21H17N5O2S

M.W.:
403.47

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
96.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4856646

Name:
4-(((2-Hydroxy-6-methoxyquinolin-3-yl)methylene)am
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Mol. Formula:
C24H23N5O6S

M.W.:
509.54

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
133.08

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1092138

Name:
2-(1-Difluoromethyl-2-oxo-1,2-dihydropyridin-5-yl)
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Mol. Formula:
C9H9F2NO3

M.W.:
217.17

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA1092137

Name:
2-(1-Difluoromethyl-2-oxo-1,2-dihydropyridin-4-yl)
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Mol. Formula:
C9H9F2NO3

M.W.:
217.17

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA1092136

Name:
2-(1-Difluoromethyl-2-oxo-1,2-dihydropyridin-3-yl)
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Mol. Formula:
C9H9F2NO3

M.W.:
217.17