Compounds

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697546

Name:
US9102686, 56

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697544

Name:
US9102686, 54

Mol. Formula:
C17H12Cl2FN5OS

M.W.:
424.29

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3697543

Name:
US9102686, 53

Mol. Formula:
C19H16F3N5OS

M.W.:
419.43

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3697541

Name:
US9102686, 51

Mol. Formula:
C19H16ClF3N6O

M.W.:
436.83

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3697540

Name:
US9102686, 50

Mol. Formula:
C19H13ClF4N6O

M.W.:
452.80

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
76.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3697538

Name:
US9102686, 48

Mol. Formula:
C20H15ClF3N5O

M.W.:
433.82

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3697537

Name:
US9102686, 47

Mol. Formula:
C18H13Cl2FN6O

M.W.:
419.25

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
76.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3697535

Name:
US9102686, 45

Mol. Formula:
C20H14ClF4N5O

M.W.:
451.81

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3697530

Name:
US9102686, 40

Mol. Formula:
C21H15ClF4N4O

M.W.:
450.82

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3697529

Name:
US9102686, 39

Mol. Formula:
C20H17ClF3N5OS

M.W.:
467.90

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3697528

Name:
US9102686, 36

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697527

Name:
US9102686, 33

Mol. Formula:
C21H17ClF3N5O

M.W.:
447.85

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3639963

Name:
US9102686, 27

Mol. Formula:
C22H19ClF3N5O2

M.W.:
477.87

2 activity values

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
73.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3697524

Name:
US9102686, 24

Mol. Formula:
C22H19ClF3N5O

M.W.:
461.88

2 activity values

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3697523

Name:
US9102686, 23

Mol. Formula:
C22H19ClF3N5O

M.W.:
461.88

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3697520

Name:
US9102686, 14

Mol. Formula:
C21H17ClF3N5O

M.W.:
447.85

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3697519

Name:
US9102686, 12

Mol. Formula:
C21H16ClF4N5O

M.W.:
465.84

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3697517

Name:
US9102686, 9

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697516

Name:
US9102686, 8

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88