Compounds

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
107.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4633869

Name:
2-(2',4'-dimethylbiphenyl-2-yl)-1-ethyl-N-methyl-1H-benzo[d]imidazole-5-carShow More⌵

Mol. Formula:
C25H25N3O

M.W.:
383.50

3 activity values

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4569878

Name:
(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-dihydroisoxazolo[3,4-c]pyriShow More⌵

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

8 activity values

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
59.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4567857

Name:
(4-Fluorophenyl)[4-methyl-1-(quinolin-2-yl)-1,4,6,7-tetrahydro-5H-[1,2,3]trShow More⌵

Mol. Formula:
C22H18FN5O

M.W.:
387.42

6 activity values

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4558106

Name:
(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-dihydroisoxazolo[5,4-c]pyriShow More⌵

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

6 activity values

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
59.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4546800

Name:
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazoloShow More⌵

Mol. Formula:
C22H18FN5O

M.W.:
387.42

6 activity values

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4516772

Name:
(S)-(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-dihydroisoxazolo[3,4-c]Show More⌵

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
59.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4437427

Name:
(R)-(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-dihydroisoxazolo[3,4-c]Show More⌵

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
59.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4115594

Name:
US9422299, 7

Mol. Formula:
C16H13F3N6OS

M.W.:
394.38

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
76.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4115295

Name:
US9422299, 8

Mol. Formula:
C16H13F3N6OS

M.W.:
394.38

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
76.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4115179

Name:
US9422299, 25

Mol. Formula:
C17H17FN6O2S

M.W.:
388.43

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
86.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4115030

Name:
US9475814, 17

Mol. Formula:
C22H22N6OS2

M.W.:
450.59

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
67.15

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4114280

Name:
US9422299, 6

Mol. Formula:
C16H14ClFN6OS

M.W.:
392.85

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
76.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4114258

Name:
US9422299, 27

Mol. Formula:
C17H18N6O2S

M.W.:
370.44

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
86.03

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4114218

Name:
US9475814, 31

Mol. Formula:
C22H19N5O2S

M.W.:
417.49

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
84.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4113908

Name:
US9422299, 19

Mol. Formula:
C17H18N6OS

M.W.:
354.44

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
76.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4113811

Name:
US9475814, 12

Mol. Formula:
C23H21N5O2

M.W.:
399.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
77.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4113741

Name:
US9422299, 2

Mol. Formula:
C17H17FN6OS

M.W.:
372.43

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
76.80

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4113569

Name:
US9422299, 44

Mol. Formula:
C17H14F4N6O2

M.W.:
410.33

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
89.94

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4113428

Name:
US9422299, 10

Mol. Formula:
C16H12F4N6OS

M.W.:
412.37