Compounds

ALA4177191

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

Mol. Formula:
C20H14F3N5O3

M.W.:
429.36

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
106.06

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4176117

Name:
3-(1-(4-(4-(Methoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-1HShow More⌵

Mol. Formula:
C21H14F3N5O4

M.W.:
457.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4174834

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

Mol. Formula:
C22H17F3N6O4

M.W.:
486.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
124.16

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4173839

Name:
3-(1-(4-(4-((Benzyloxy)carbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenylShow More⌵

Mol. Formula:
C27H18F3N5O4

M.W.:
533.47

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4173834

Name:
3-(4-(4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)-benzamido)benShow More⌵

Mol. Formula:
C21H16F3N3O5

M.W.:
447.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
110.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4172741

Name:
3-(1-(4-(4-((Pentan-2-yloxy)carbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)-Show More⌵

Mol. Formula:
C25H22F3N5O4

M.W.:
513.48

37 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4170397

Name:
Ethyl 1-(4-(4-(3-((Methylsulfonyl)carbamoyl)phenyl)-1H-1,2,3-triazol-1-yl)pShow More⌵

Mol. Formula:
C23H19F3N6O5S

M.W.:
548.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
138.07

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4170347

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

Mol. Formula:
C22H17F3N6O3

M.W.:
470.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
117.92

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4169352

Name:
3-(1-(4-(4-((2-Morpholinoethoxy)carbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-Show More⌵

Mol. Formula:
C26H23F3N6O5

M.W.:
556.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
124.60

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4168931

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

Mol. Formula:
C23H18F3N5O3

M.W.:
469.42

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
91.90

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4166992

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

Mol. Formula:
C20H13F3N6O3

M.W.:
442.36

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
128.92

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4166944

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

Mol. Formula:
C21H17F3N6O4S

M.W.:
506.47

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
134.99

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4165920

Name:
3-(1-(4-(4-((Pyridin-4-ylmethoxy)carbonyl)-5-(trifluoromethyl)-1H-pyrazol-1Show More⌵

Mol. Formula:
C26H17F3N6O4

M.W.:
534.45

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
125.02

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4165917

Name:
3-((4-(4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)-phenyl)carbaShow More⌵

Mol. Formula:
C21H16F3N3O5

M.W.:
447.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
110.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4164770

Name:
3-(1-(4-(4-((Isopentyloxy)carbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pheShow More⌵

Mol. Formula:
C25H22F3N5O4

M.W.:
513.48

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4164404

Name:
(E)-3-(1-(4-(4-(((3,7-Dimethylocta-2,6-dien-1-yl)oxy)carbonyl)-5-(trifluoroShow More⌵

Mol. Formula:
C30H28F3N5O4

M.W.:
579.58

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4162479

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

Mol. Formula:
C20H12F3N5O4

M.W.:
443.34

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
123.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4162062

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

Mol. Formula:
C23H18F3N5O4

M.W.:
485.42

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
112.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4161005

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

Mol. Formula:
C23H18F3N5O4

M.W.:
485.42

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
101.13

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4160911

Name:
3-(1-(4-(4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)-phenyl)-1HShow More⌵

Mol. Formula:
C22H16F3N5O4

M.W.:
471.40

4 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