Compounds

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4645731

Name:
(S)-(2-methoxy-3-(methylsulfonyl)-6-(1,1,1-trifluoropropan-2-yloxy)phenyl)(Show More⌵

Mol. Formula:
C21H22F3NO5S

M.W.:
457.47

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4644636

Name:
(S)-2-chloro-3-(2-(5-fluoropyridin-2-yl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyShow More⌵

Mol. Formula:
C21H14ClF4N5O2

M.W.:
479.82

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
84.04

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4640428

Name:
(S)-(3-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)azetidin-1-yl)(2-methoxy-3Show More⌵

Mol. Formula:
C21H19ClF6N2O5S

M.W.:
560.90

31 activity values

13 unique targets

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
85.80

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4639407

Name:
(S)-3-(2-(5-fluoropyridin-2-yl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-5-Show More⌵

Mol. Formula:
C22H17F4N5O3

M.W.:
475.40

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
93.27

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4639102

Name:
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(4-(trifShow More⌵

Mol. Formula:
C21H19F6NO4S

M.W.:
495.44

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4638896

Name:
(S)-(2-methoxy-3-(methylsulfonyl)-6-(1,1,1-trifluoropropan-2-yloxy)phenyl)(Show More⌵

Mol. Formula:
C21H20F6N2O5S

M.W.:
526.46

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
85.80

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4638182

Name:
(S)-(2-(5-fluoropyridin-2-yl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)(2-methoxShow More⌵

Mol. Formula:
C22H20F4N4O5S

M.W.:
528.48

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
103.62

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4634285

Name:
(S)-(3-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)azetidin-1-yl)(2-methoxy-3Show More⌵

Mol. Formula:
C21H19F7N2O5S

M.W.:
544.45

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
85.80

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2419436

Name:
3-Biphenyl-4-yl-5-ethyl-4-[2-methyl-3-(trifluoromethyl)-phenyl]-4H-1,2,4-trShow More⌵

Mol. Formula:
C24H20F3N3

M.W.:
407.44

4 activity values

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1939498

Name:
[125I]-2-iodo N-[(S)-{(S)-1-methylpiperidin-2-yl}(phenyl)methyl]3-trifluoroShow More⌵

Mol. Formula:
C21H22F3IN2O

M.W.:
500.32

193 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1928746

Name:
4-[1-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-ethyl]pyridine

Mol. Formula:
C23H22N4

M.W.:
354.46

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1928745

Name:
4-[(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-methyl]pyridine

Mol. Formula:
C22H20N4

M.W.:
340.43

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1928744

Name:
5-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinShow More⌵

Mol. Formula:
C25H24N4

M.W.:
380.50

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1928743

Name:
5-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)isoquinolin-1(2H)-one

Mol. Formula:
C25H20N4O

M.W.:
392.46

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
63.57

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1928742

Name:
5-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)isoquinoline-2-oxide

Mol. Formula:
C25H20N4O

M.W.:
392.46

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
57.65

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1928741

Name:
1-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)isoquinoline

Mol. Formula:
C25H20N4

M.W.:
376.46

3 activity values

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1928740

Name:
4-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-isoquinoline

Mol. Formula:
C25H20N4

M.W.:
376.46

3 activity values

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1928739

Name:
4-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-quinoline

Mol. Formula:
C25H20N4

M.W.:
376.46

3 activity values

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
43.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1928738

Name:
5-(3-Biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)-quinoline

Mol. Formula:
C25H20N4

M.W.:
376.46