Compounds

ALA3654541

Name:
US8999957, Table 2, Compound 67

Mol. Formula:
C29H26F2N6O

M.W.:
512.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
78.84

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3654540

Name:
US8999957, Table 2, Compound 66

Mol. Formula:
C30H29FN6O2

M.W.:
524.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3654539

Name:
US8999957, Table 2, Compound 65

Mol. Formula:
C27H26FN5O2

M.W.:
471.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
90.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3654538

Name:
US8999957, Table 2, Compound 64

Mol. Formula:
C28H28F3N5O

M.W.:
507.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
73.91

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3654537

Name:
US8999957, Table 2, Compound 63

Mol. Formula:
C27H28FN5O

M.W.:
457.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
73.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3654536

Name:
US8999957, Table 2, Compound 62

Mol. Formula:
C29H29FN6O3

M.W.:
528.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
107.78

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3654535

Name:
US8999957, Table 2, Compound 61

Mol. Formula:
C24H25N7O

M.W.:
427.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
99.69

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3654534

Name:
US8999957, Table 2, Compound 60

Mol. Formula:
C27H29N5O

M.W.:
439.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
73.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3654533

Name:
US8999957, Table 2, Compound 59

Mol. Formula:
C29H27FN6O4

M.W.:
542.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.85

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3654532

Name:
US8999957, Table 2, Compound 57

Mol. Formula:
C25H27N5O2S

M.W.:
461.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
83.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3654531

Name:
US8999957, Table 2, Compound 56

Mol. Formula:
C24H26N6OS

M.W.:
446.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
86.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3654530

Name:
US8999957, Table 2, Compound 55

Mol. Formula:
C25H25FN6O

M.W.:
444.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
86.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3654529

Name:
US8999957, Table 2, Compound 54

Mol. Formula:
C29H30FN5O4

M.W.:
531.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
109.44

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3654528

Name:
US8999957, Table 2, Compound 52

Mol. Formula:
C28H25FN6O3

M.W.:
512.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
104.62

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3654527

Name:
US8999957, Table 2, Compound 51

Mol. Formula:
C27H26FN5O3

M.W.:
487.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
100.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3654526

Name:
US8999957, Table 2, Compound 50

Mol. Formula:
C29H28FN5O2S

M.W.:
529.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
83.14

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3654525

Name:
US8999957, Table 2, Compound 49

Mol. Formula:
C28H30FN5O3

M.W.:
503.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
92.37

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3654524

Name:
US8999957, Table 2, Compound 48

Mol. Formula:
C30H31FN6O2

M.W.:
526.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3654523

Name:
US8999957, Table 2, Compound 47

Mol. Formula:
C30H31FN6O2

M.W.:
526.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3654522

Name:
US8999957, Table 2, Compound 46

Mol. Formula:
C29H29FN6O2

M.W.:
512.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
87.55

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS