Compounds

ALA5278611

Name:
5-(4-((E)-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazi
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Mol. Formula:
C23H26Br2N10

M.W.:
602.34

Type:
---

AlogP:
1.51

Polar Surface Area:
126.24

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5285672

Name:
(E)-2-(4-(3-(4-bromophenyl)-1H-pyrazol-5-yl)benzyl
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Mol. Formula:
C17H15BrN6

M.W.:
383.25

Type:
---

AlogP:
3.32

Polar Surface Area:
102.94

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5291421

Name:
(E)-2-(4-(3-(4-fluorophenyl)-1-(4-methoxybenzyl)-1
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Mol. Formula:
C27H24F4N6O3

M.W.:
556.52

Type:
---

AlogP:
4.23

Polar Surface Area:
101.31

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5289168

Name:
(2Z,2'Z)-2,2'-(((1H-pyrazole-3,5-diyl)bis(4,1-phen
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Mol. Formula:
C19H22Cl2N10

M.W.:
461.36

Type:
---

AlogP:
1.38

Polar Surface Area:
177.20

HBA:
5

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5287933

Name:
(2E,2'E)-2,2'-(((1-methyl-1H-pyrazole-3,5-diyl)bis
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Mol. Formula:
C24H24F6N10O4

M.W.:
630.51

Type:
---

AlogP:
1.39

Polar Surface Area:
166.34

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5283083

Name:
(E)-2-(4-(5-(4-fluorophenyl)isoxazol-3-yl)benzylid
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Mol. Formula:
C17H15ClFN5O

M.W.:
359.79

Type:
---

AlogP:
2.96

Polar Surface Area:
100.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5276647

Name:
(E)-2-((4''-(tert-butyl)-[1,1':3',1''-terphenyl]-4
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Mol. Formula:
C24H26N4

M.W.:
370.50

Type:
---

AlogP:
5.14

Polar Surface Area:
74.26

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5270983

Name:
(2E,2'E)-2,2'-(((1-(4-methoxybenzyl)-1H-pyrazole-3
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Mol. Formula:
C31H30F6N10O5

M.W.:
736.63

Type:
---

AlogP:
2.91

Polar Surface Area:
175.57

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5269133

Name:
(2Z,2'E)-2,2'-([1,1':3',1''-Terphenyl]-4,4''-diylb
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Mol. Formula:
C22H23ClN8

M.W.:
434.94

Type:
---

AlogP:
2.65

Polar Surface Area:
148.52

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5268180

Name:
1-(4-(3-(4-(amino(iminio)methyl)phenyl)triaz-1-en-
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Mol. Formula:
C15H16N6

M.W.:
280.34

Type:
---

AlogP:
3.47

Polar Surface Area:
110.47

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5267130

Name:
(E)-2-(4-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)benzy
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Mol. Formula:
C19H16F4N6O2

M.W.:
436.37

Type:
---

AlogP:
2.70

Polar Surface Area:
102.94

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5267106

Name:
(E)-2-(4-(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5
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Mol. Formula:
C20H18F4N6O2

M.W.:
450.40

Type:
---

AlogP:
2.71

Polar Surface Area:
92.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3577295

Name:
7-{(4-Chlorobenzyl)[2-(diethylamino)ethyl]amino}-2
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Mol. Formula:
C23H28Cl2N4O2

M.W.:
463.41

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
86.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3577294

Name:
7-{Benzyl[2-(diethylamino)ethyl]amino}-2-oxo-2H-ch
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Mol. Formula:
C23H29ClN4O2

M.W.:
428.96

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
86.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3577293

Name:
7-(Dibenzylamino)-2-oxo-2H-chromene-3-carboximidam
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Mol. Formula:
C24H22ClN3O2

M.W.:
419.91

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
83.32

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3576875

Name:
7-[Benzyl(methyl)amino]-2-oxo-2H-chromene-3-carbox
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Mol. Formula:
C18H18ClN3O2

M.W.:
343.81

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
83.32

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3577292

Name:
7-{[2-(Diethylamino)ethyl](ethyl)amino}-2-oxo-2H-c
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Mol. Formula:
C18H27ClN4O2

M.W.:
366.89

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
86.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3577291

Name:
7-(Diethylamino)-2-oxo-2H-chromene-3-carboximidami
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Mol. Formula:
C14H18ClN3O2

M.W.:
295.77

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
83.32

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS