Compounds

ALA3704063

Name:
US9062048, 44

Mol. Formula:
C23H29F3N6O2

M.W.:
478.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3704062

Name:
US9062048, 43

Mol. Formula:
C21H27F3N6O

M.W.:
436.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
82.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3704061

Name:
US9062048, 48

Mol. Formula:
C25H33F3N6O2

M.W.:
506.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3704060

Name:
US9062048, 42

Mol. Formula:
C29H33F3N6O3

M.W.:
570.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
99.69

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3640029

Name:
US9062048, 41

Mol. Formula:
C22H27F3N6O2

M.W.:
464.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
99.25

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3704059

Name:
US9062048, 40

Mol. Formula:
C24H29F3N6O2

M.W.:
490.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3704058

Name:
US9062048, 39

Mol. Formula:
C25H31F3N6O2

M.W.:
504.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
90.46

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3704057

Name:
US9062048, 38

Mol. Formula:
C25H32F3N5O2

M.W.:
491.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
79.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3704056

Name:
US9062048, 37

Mol. Formula:
C23H28F3N5O2

M.W.:
463.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
90.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3704055

Name:
US9062048, 36

Mol. Formula:
C23H28F3N5O

M.W.:
447.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
70.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3704054

Name:
US9062048, 35

Mol. Formula:
C24H25F10N5O2

M.W.:
605.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
90.38

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3704053

Name:
US9062048, 34

Mol. Formula:
C22H25F6N5O2

M.W.:
505.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
90.38

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3704052

Name:
US9062048, 33

Mol. Formula:
C25H32F3N5O

M.W.:
475.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
70.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3704051

Name:
US9062048, 32

Mol. Formula:
C27H38F3N5O2

M.W.:
521.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
90.38

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3704050

Name:
US9062048, 31

Mol. Formula:
C27H34F3N5O2

M.W.:
517.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
90.38

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3704044

Name:
US9062048, 25

Mol. Formula:
C25H30F6N4O2

M.W.:
532.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
77.49

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3704043

Name:
US9062048, 24

Mol. Formula:
C25H25F6N5O2S

M.W.:
573.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
90.38

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3704042

Name:
US9062048, 23

Mol. Formula:
C24H33F3N6O2

M.W.:
494.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
93.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3704041

Name:
US9062048, 22

Mol. Formula:
C23H27F3N6O3

M.W.:
492.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
108.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3704040

Name:
US9062048, 21

Mol. Formula:
C23H30F3N5O3S

M.W.:
513.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
113.44

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS