Compounds

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4100650

Name:
N-(3-chloro-5-(trifluoromethyl)phenyl)-2-(5-(furan
Show More⌵

Mol. Formula:
C17H8ClF3N4O3

M.W.:
408.72

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
104.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4099528

Name:
2-(Benzo[d]isoxazol-3-yl)-N-(4-chloro-3-(trifluoro
Show More⌵

Mol. Formula:
C17H8ClF3N4O2

M.W.:
392.72

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4092921

Name:
(E)-N'-(3,5-bis(trifluoromethyl)phenyl)-2-(5-(4-me
Show More⌵

Mol. Formula:
C21H12F6N4O3

M.W.:
482.34

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
100.51

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4091792

Name:
2-(Benzo[d]isoxazol-3-yl)-N-(3-chloro-5-(trifluoro
Show More⌵

Mol. Formula:
C17H8ClF3N4O2

M.W.:
392.72

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4087626

Name:
N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-oxo-2-(5-
Show More⌵

Mol. Formula:
C23H18ClF3N4O2

M.W.:
474.87

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4063555

Name:
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-oxo-2-(5-
Show More⌵

Mol. Formula:
C20H12ClF3N4O3

M.W.:
448.79

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
100.51

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4082655

Name:
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(5-(furan
Show More⌵

Mol. Formula:
C17H8ClF3N4O3

M.W.:
408.72

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
104.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4081514

Name:
2-(Benzo[d]isoxazol-3-yl)-N-(3-chloro-4-(trifluoro
Show More⌵

Mol. Formula:
C17H8ClF3N4O2

M.W.:
392.72

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4078805

Name:
N-(3,5-bis(trifluoromethyl)phenyl)-2-oxo-2-(5-phen
Show More⌵

Mol. Formula:
C20H10F6N4O2

M.W.:
452.31

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3594323

Name:
Ethyl 3-(2-(2-(5-tert-Butylisoxazol-3-yl)-1-cyano-
Show More⌵

Mol. Formula:
C19H20N4O4

M.W.:
368.39

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
117.58

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3594322

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(3-nitrophenyl)-2
Show More⌵

Mol. Formula:
C16H15N5O4

M.W.:
341.33

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
134.42

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3594321

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(3-trifluoromethy
Show More⌵

Mol. Formula:
C17H15F3N4O2

M.W.:
364.33

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3594320

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(3-fluorophenyl)-
Show More⌵

Mol. Formula:
C16H15FN4O2

M.W.:
314.32

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3594319

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(3-bromophenyl)-2
Show More⌵

Mol. Formula:
C16H15BrN4O2

M.W.:
375.23

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3594318

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(4-chlorophenyl)-
Show More⌵

Mol. Formula:
C16H15ClN4O2

M.W.:
330.78

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3594317

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-(2-chlorophenyl)-
Show More⌵

Mol. Formula:
C16H15ClN4O2

M.W.:
330.78

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3594316

Name:
2-(5-tert-Butylisoxazol-3-yl)-N'-phenyl-2-oxoaceto
Show More⌵

Mol. Formula:
C16H16N4O2

M.W.:
296.33

3 activity values

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3593480

Name:
(E)-N'-(3,5-dichlorophenyl)-2-(5-methylisoxazol-3-
Show More⌵

Mol. Formula:
C13H8Cl2N4O2

M.W.:
323.14

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
91.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3593479

Name:
3-(5-tert-Butylisoxazol-3-yl)-4-((3-chlorophenyl)d
Show More⌵

Mol. Formula:
C16H17ClN6O

M.W.:
344.81

1 activity values