Compounds

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
125.34

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3987142

Name:
US9303033, R23, Table 37A, Compound 95

Mol. Formula:
C21H22N8O2

M.W.:
418.46

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
125.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3987107

Name:
US9303033, Q14, Table 33A, Compound 10

Mol. Formula:
C19H18N8O3

M.W.:
406.41

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
134.57

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3987091

Name:
US9303033, U36, Table 41A, Compound 7

Mol. Formula:
C21H27N9O3

M.W.:
453.51

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
154.44

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3987060

Name:
US9303033, G22, Table 37A, Compound 58

Mol. Formula:
C19H17BrN8O2

M.W.:
469.30

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
125.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3986928

Name:
US9303033, Y12, Table 23A, Compound 111

Mol. Formula:
C24H25N7O5S

M.W.:
523.58

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
155.82

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3986917

Name:
US9303033, O40, Table 43A, Compound 44

Mol. Formula:
C20H18N8O3

M.W.:
418.42

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
155.54

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3986790

Name:
US9303033, P45, Table 50A, Compound 73

Mol. Formula:
C20H17BrFN7O2

M.W.:
486.31

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
112.45

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3986704

Name:
US9303033, U17, Table 33A, Compound 92

Mol. Formula:
C14H16N8O2

M.W.:
328.34

Type:
Small molecule

AlogP:
0.31

Polar Surface Area:
125.34

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3986439

Name:
US9303033, G20, Table 37A, Compound 7

Mol. Formula:
C19H19N9O2

M.W.:
405.42

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
138.23

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3986376

Name:
US9303033, E46, Table 51A, Compound 4

Mol. Formula:
C23H21N9O2

M.W.:
455.48

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
130.27

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3986306

Name:
US9303033, R11, Table 23A, Compound 78

Mol. Formula:
C24H24N8O4S

M.W.:
520.58

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
141.04

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3986251

Name:
US9303033, S25, Table 37A, Compound 148

Mol. Formula:
C28H34N10O4

M.W.:
574.65

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
167.77

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3985878

Name:
US9303033, T37, Table 41A, Compound 32

Mol. Formula:
C24H25F2N9O4S

M.W.:
573.59

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
171.51

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3985801

Name:
US9303033, E26, Table 37A, Compound 160

Mol. Formula:
C19H20N8O3

M.W.:
408.42

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
138.48

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3985773

Name:
US9303033, C12, Table 23A, Compound 89

Mol. Formula:
C23H25N7O4S

M.W.:
495.57

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
138.75

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3985670

Name:
US9303033, C40, Table 43A, Compound 32

Mol. Formula:
C20H15FN8O2

M.W.:
418.39

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
136.24

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3985598

Name:
US9303033, O2, Example 27

Mol. Formula:
C18H21N7O2

M.W.:
367.41

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
112.45

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3985559

Name:
US9303033, V30, Table 37A, Compound 281

Mol. Formula:
C20H19ClN8O3

M.W.:
454.88

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
134.57

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3985479

Name:
US9303033, X20, Table 37A, Compound 24

Mol. Formula:
C21H27N9O3

M.W.:
453.51