Compounds

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
114.26

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4476772

Name:
(E)-1-(4-(3-chloro-4-fluorophenylamino)-7,8-dihydr
Show More⌵

Mol. Formula:
C24H25ClFN5O2

M.W.:
469.95

6 activity values

6 unique targets

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
70.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4476132

Name:
9-(2-Methoxyphenyl)-8-oxo-2-(pyridin-4-yl)-8,9-dih
Show More⌵

Cas Number:
869069-51-2

Mol. Formula:
C18H14N6O3

M.W.:
362.35

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
128.78

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4475865

Name:
7-Benzyl-2-(4-ethoxyphenyl)-9-(2-methoxyphenyl)-8-
Show More⌵

Mol. Formula:
C28H23N5O3

M.W.:
477.52

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
94.96

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4475620

Name:
N-(4-methoxy-5-((4-(1-methyl-1H-pyrrolo[3,2-b]pyri
Show More⌵

Mol. Formula:
C27H30N8O2

M.W.:
498.59

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
100.44

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4474905

Name:
(E)-N-(6-(2-(2,4-dioxooxazolidin-3-yl)vinyl)-7-hyd
Show More⌵

Mol. Formula:
C16H12N2O8S2

M.W.:
424.41

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
131.47

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4538613

Name:
N-(5-((4-(benzo[d]isoxazol-3-yl)pyrimidin-2-yl)ami
Show More⌵

Mol. Formula:
C26H27F2N7O3

M.W.:
523.54

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
108.65

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4536409

Name:
(S)-N-(5-((4-(benzo[d]isoxazol-3-yl)pyrimidin-2-yl
Show More⌵

Mol. Formula:
C28H29F2N7O3

M.W.:
549.58

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
108.65

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4525215

Name:
2-(4-Ethoxyphenyl)-9-hexyl-8-oxo-8,9-dihydro-7H-pu
Show More⌵

Mol. Formula:
C20H25N5O3

M.W.:
383.45

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
115.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4524655

Name:
(S)-N-(2-(2-((dimethylamino)methyl)pyrrolidin-1-yl
Show More⌵

Mol. Formula:
C29H34N8O2

M.W.:
526.65

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
100.44

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4523003

Name:
Ethyl 2-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin
Show More⌵

Mol. Formula:
C18H14FNO3

M.W.:
311.31

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
59.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4520392

Name:
2-(2-Ethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-d
Show More⌵

Cas Number:
869069-46-5

Mol. Formula:
C21H19N5O4

M.W.:
405.41

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
125.12

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4534050

Name:
(E)-2-(4-Ethoxyphenyl)-N'-hydroxy-9-(naphthalen-1-
Show More⌵

Mol. Formula:
C24H20N6O3

M.W.:
440.46

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
131.41

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4560518

Name:
N-(4-(3-chloro-4-fluorophenylamino)-7-(2-ethoxyeth
Show More⌵

Mol. Formula:
C21H19BrClFN4O3

M.W.:
509.76

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
85.37

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4560368

Name:
2-(2-Bromophenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-di
Show More⌵

Mol. Formula:
C19H14BrN5O3

M.W.:
440.26

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
115.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4559684

Name:
Ethyl 2-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoli
Show More⌵

Mol. Formula:
C18H15NO4

M.W.:
309.32

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
79.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4557964

Name:
(Z)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-ethox
Show More⌵

Mol. Formula:
C22H19ClFN5O3

M.W.:
455.88

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
109.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4557779

Name:
9-Cyclohexyl-2-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-
Show More⌵

Mol. Formula:
C20H23N5O3

M.W.:
381.44

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
115.89

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4556389

Name:
N-(4-(3-chloro-4-fluorophenylamino)-7-(2-ethoxyeth
Show More⌵

Mol. Formula:
C20H20ClFN4O4S

M.W.:
466.92

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
102.44

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4555042

Name:
Ethyl 2-(4-methoxyphenyl)-4-oxo-1,4-dihydroquinoli
Show More⌵

Mol. Formula:
C19H17NO4

M.W.:
323.35