Compounds

ALA3675796

Name:
US8748618, AI-10-77

Mol. Formula:
C14H11N3O3

M.W.:
269.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
77.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3675795

Name:
US8748618, LD-2-101

Mol. Formula:
C14H13N3O2

M.W.:
255.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
71.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3675794

Name:
US8748618, AI-10-65

Mol. Formula:
C13H7F4N3O

M.W.:
297.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3675793

Name:
US8748618, AI-10-53

Mol. Formula:
C14H13N3O2

M.W.:
255.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
71.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3675792

Name:
US8748618, AI-10-87

Mol. Formula:
C16H14F3N3O3

M.W.:
353.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
69.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3675791

Name:
US8748618, AI-10-11

Mol. Formula:
C16H17N3O3

M.W.:
299.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
80.26

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3675790

Name:
US8748618, AI-4-61 (or) AI-10-52

Mol. Formula:
C14H13N3O2

M.W.:
255.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
71.03

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3675789

Name:
US8748618, AI-10-96

Mol. Formula:
C18H11F3N4O

M.W.:
356.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
63.69

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3675788

Name:
US8748618, AI-10-57

Mol. Formula:
C13H9N3O2

M.W.:
239.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3675787

Name:
US8748618, AI-10-3

Mol. Formula:
C16H16N4O

M.W.:
280.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
54.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3675786

Name:
US8748618, AI-4-48

Mol. Formula:
C13H7ClF3N3

M.W.:
297.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3675785

Name:
US8748618, LD-2-23

Mol. Formula:
C13H8F3N3

M.W.:
263.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3675784

Name:
US8748618, AI-4-49

Mol. Formula:
C12H7Cl2N3

M.W.:
264.12

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3675783

Name:
US8748618, AI-10-51

Mol. Formula:
C13H10ClN3O

M.W.:
259.70

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
61.80

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3675782

Name:
US8748618, LD-1-39

Mol. Formula:
C13H9F2N3O

M.W.:
261.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
61.80

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3675781

Name:
US8748618, AI-4-43

Mol. Formula:
C12H6F3N3

M.W.:
249.19

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3675780

Name:
US8748618, LD-1-33

Mol. Formula:
C12H7F2N3

M.W.:
231.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA3675779

Name:
US8748618, LD-1-23

Mol. Formula:
C14H13N3

M.W.:
223.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

AI-10-47

Name:
US8748618, AI-10-47

Mol. Formula:
C13H8F3N3O

M.W.:
279.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3675777

Name:
US8748618, AI-10-37

Mol. Formula:
C13H11N3O2S

M.W.:
273.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
75.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS