Compounds

ALA4177488

Name:
ethyl 1-(4-(1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)phenyl)-5-(trifluoromShow More⌵

Mol. Formula:
C22H18F3N5O3

M.W.:
457.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
84.06

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4177449

Name:
ethyl 1-(4-(4-(4-acetamidophenyl)-1H-1,2,3-triazol-1-yl)phenyl)-5-(trifluorShow More⌵

Mol. Formula:
C23H19F3N6O3

M.W.:
484.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
103.93

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

Pyr3

Name:
ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazoShow More⌵

Mol. Formula:
C16H11Cl3F3N3O3

M.W.:
456.64

63 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4177016

Name:
4-(4-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C18H10F6N6

M.W.:
424.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4176876

Name:
ethyl 1-(4-(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)phenyl)-5-(trifluoromethShow More⌵

Mol. Formula:
C20H15F3N6O2

M.W.:
428.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
87.72

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4176560

Name:
ethyl 1-(4-(1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl)phenyl)-5-(trifluoromShow More⌵

Mol. Formula:
C22H18F3N5O3

M.W.:
457.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
84.06

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4176378

Name:
4-(1-(4-(4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-Show More⌵

Mol. Formula:
C19H18F3N5O4

M.W.:
437.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4175895

Name:
3-(1-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C19H11F6N5O

M.W.:
439.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4175023

Name:
4-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1-(4-methoxyphenyl)-Show More⌵

Mol. Formula:
C20H13F6N5O

M.W.:
453.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
57.76

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4174965

Name:
Ethyl 1-(4-(1-(3-Aminophenyl)-1H-1,2,3-triazol-4-yl)phenyl)-5-(trifluorometShow More⌵

Mol. Formula:
C21H17F3N6O2

M.W.:
442.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
100.85

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4174817

Name:
2-(1-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C18H10F6N6

M.W.:
424.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4174793

Name:
Ethyl 1-(4-(4-(3-Aminophenyl)-1H-1,2,3-triazol-1-yl)phenyl)-5-(trifluorometShow More⌵

Mol. Formula:
C21H17F3N6O2

M.W.:
442.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
100.85

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4174705

Name:
3-(4-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C20H11F6N5O2

M.W.:
467.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
85.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4174511

Name:
4-(1-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1H-1,2,3-triazol-Show More⌵

Mol. Formula:
C20H13F6N5O2

M.W.:
469.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
77.99

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4174481

Name:
1-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-4-(4-methoxyphenyl)-Show More⌵

Mol. Formula:
C20H13F6N5O

M.W.:
453.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
57.76

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4174388

Name:
ethyl 1-(4-(4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl)phenyl)-5-(trifluoromethShow More⌵

Mol. Formula:
C20H15F3N6O2

M.W.:
428.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
87.72

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4174084

Name:
1-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-4-phenyl-1H-1,2,3-trShow More⌵

Mol. Formula:
C19H11F6N5

M.W.:
423.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
48.53

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4173193

Name:
ethyl 1-(4-(1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-4-yl)phenyl)-5-(trifluShow More⌵

Mol. Formula:
C23H20F3N5O4

M.W.:
487.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
93.29

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4172987

Name:
ethyl 1-(4-(4-(3-acetamidophenyl)-1H-1,2,3-triazol-1-yl)phenyl)-5-(trifluorShow More⌵

Mol. Formula:
C23H19F3N6O3

M.W.:
484.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
103.93

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4172766

Name:
4-(4-(4-(4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)-phenyl)-1HShow More⌵

Mol. Formula:
C22H16F3N5O4

M.W.:
471.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS