Compounds

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3980055

Name:
US9173884, BC11-28-7

Mol. Formula:
C25H19FN4O

M.W.:
410.45

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
51.97

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3979441

Name:
US9173884, BC11-8

Mol. Formula:
C18H18N4OS2

M.W.:
370.50

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
52.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3975058

Name:
US9359371, 7

Mol. Formula:
C24H31ClN6O2

M.W.:
471.01

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
91.41

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3974407

Name:
BDBM86640::US9173884, BC11-19

Mol. Formula:
C15H9N3O2S

M.W.:
295.32

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
56.37

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3972355

Name:
BC11-15::US9173884, BC11-15

Mol. Formula:
C23H24N4OS

M.W.:
404.54

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
51.02

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3971986

Name:
US9173884, BC11-28-9

Mol. Formula:
C25H19ClN4

M.W.:
410.91

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3963361

Name:
US9359371, 44

Mol. Formula:
C25H33ClN6O2

M.W.:
485.03

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
105.40

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3960139

Name:
US9173884, BC11-19-2

Mol. Formula:
C17H13N3O3S

M.W.:
339.38

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
65.60

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3956874

Name:
US9359371, 42

Mol. Formula:
C25H34ClN7O2

M.W.:
500.05

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
94.65

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3955950

Name:
BC11-38-1::US9173884, BC11-38-1

Mol. Formula:
C16H18N2OS2

M.W.:
318.47

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
34.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3950652

Name:
BC11-38-3::US9173884, BC11-38-3

Mol. Formula:
C16H18N2OS2

M.W.:
318.47

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
34.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3946774

Name:
US9173884, BC11-28-4

Mol. Formula:
C25H19FN4

M.W.:
394.45

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3945848

Name:
US9359371, 14

Mol. Formula:
C26H30ClN7O2

M.W.:
508.03

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
105.16

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3944933

Name:
US9173884, BC11-28-11

Mol. Formula:
C24H17FN4

M.W.:
380.43

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3941090

Name:
US9359371, 47

Mol. Formula:
C26H34ClN5O3

M.W.:
500.04

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3940516

Name:
US9359371, 18

Mol. Formula:
C26H31ClN8O2

M.W.:
523.04

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
108.40

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3935458

Name:
US9173884, BC11-19-5

Mol. Formula:
C16H10ClN3O3S

M.W.:
359.79

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
65.60

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

BC-11-38

Name:
BC11-38::US9173884, BC11-38

Mol. Formula:
C15H16N2OS2

M.W.:
304.44

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
34.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3919432

Name:
BC11-38-2::US9173884, BC11-38-2

Mol. Formula:
C16H18N2OS2

M.W.:
318.47