Compounds

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
80.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4111894

Name:
US9233965, 51

Mol. Formula:
C25H30N4O3

M.W.:
434.54

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4111304

Name:
US9233965, 28

Mol. Formula:
C24H33N5O2

M.W.:
423.56

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
83.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4108455

Name:
US9233965, 57

Mol. Formula:
C24H32N4O4

M.W.:
440.54

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
98.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4108038

Name:
US9475817, 158

Mol. Formula:
C30H27F5N8O2

M.W.:
626.59

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
113.47

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4107936

Name:
US9475817, 127

Mol. Formula:
C29H26F5N9O2

M.W.:
627.58

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
116.71

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4106631

Name:
US9233965, 37

Mol. Formula:
C26H34N4O3

M.W.:
450.58

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3987095

Name:
US9475817, 101

Mol. Formula:
C22H19FN6O

M.W.:
402.43

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
77.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3987018

Name:
US9475817, 194

Mol. Formula:
C27H19FN8O

M.W.:
490.50

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
102.89

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3986616

Name:
US9475817, 51

Mol. Formula:
C23H15F3N6O

M.W.:
448.41

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
77.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3986585

Name:
US9475817, 201

Mol. Formula:
C31H27FN8O2S

M.W.:
594.68

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
112.12

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3986343

Name:
US9475817, 4

Mol. Formula:
C26H19FN8OS

M.W.:
510.56

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
102.89

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3985580

Name:
US9475817, 96

Mol. Formula:
C22H16FN7O

M.W.:
413.42

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
90.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3984983

Name:
US9233965, 40

Mol. Formula:
C29H34N4O3

M.W.:
486.62

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3984487

Name:
US9475817, 63

Mol. Formula:
C23H15F4N7O

M.W.:
481.41

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
90.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3984305

Name:
US9233965, 33

Mol. Formula:
C25H32N4O3

M.W.:
436.56

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3983892

Name:
US9233965, 78

Mol. Formula:
C18H17ClF4N4O2

M.W.:
432.81

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
80.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3983847

Name:
US9233965, 93

Mol. Formula:
C20H23ClN4O3

M.W.:
402.88

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
89.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3983364

Name:
US9475817, 76

Mol. Formula:
C24H20FN7O

M.W.:
441.47

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
90.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3982877

Name:
US9475817, 40

Mol. Formula:
C22H21FN6O2

M.W.:
420.45