Compounds

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
115.98

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4878685

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-4-(2,4-difluorop
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Mol. Formula:
C24H17F3N4O

M.W.:
434.42

8 activity values

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4877761

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(2-fluoro-[1,1
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Mol. Formula:
C24H19FN4O

M.W.:
398.44

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4876832

Name:
(4-((1H-imidazol-1-yl)methyl)-5-isopropyl-4,5-dihy
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Mol. Formula:
C22H23N3O

M.W.:
345.45

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4876451

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(3-fluoro-[1,1
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Mol. Formula:
C24H19FN4O

M.W.:
398.44

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4876265

Name:
4-((1H-1,2,4-triazol-1-yOmethyl)-2-(3'-chloro-[1,1
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Mol. Formula:
C24H19ClN4O

M.W.:
414.90

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4875963

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(4'-chloro-[1,
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Mol. Formula:
C24H19ClN4O

M.W.:
414.90

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4875887

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(2'-chloro-[1,
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Mol. Formula:
C24H19ClN4O

M.W.:
414.90

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4875145

Name:
8-(4-(4-((4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1
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Mol. Formula:
C32H41F2N9O4

M.W.:
653.73

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
146.57

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4874394

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(2'-fluoro-[1,
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Mol. Formula:
C24H18F2N4O

M.W.:
416.43

8 activity values

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4874340

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-4-(3-chloropheny
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Mol. Formula:
C24H18ClFN4O

M.W.:
432.89

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4871488

Name:
4-(4-(4-(4-((4-(2-(2,4-difluorophenyl)-2-hydroxy-3
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Mol. Formula:
C35H39F2N9O4

M.W.:
687.75

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
146.57

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4870949

Name:
4-((1H-imidazole-1-yl)methyl)-2-([1,1'-biphenyl]-4
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Mol. Formula:
C20H19N3O

M.W.:
317.39

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4870687

Name:
2-(4-(4-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H
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Mol. Formula:
C27H34F2N6O4

M.W.:
544.60

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
115.98

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4870228

Name:
5-(4-((4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1
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Mol. Formula:
C27H34F2N6O4

M.W.:
544.60

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
115.98

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4870125

Name:
(4-((1H-imidazol-1-yl)methyl)-4-(difluoro(phenyl)m
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Mol. Formula:
C26H21F2N3O

M.W.:
429.47

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4870011

Name:
4-((1H-imidazole-1-yl)methyl)-2-([1,1'-biphenyl]-4
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Mol. Formula:
C26H23N3O

M.W.:
393.49

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4869881

Name:
4-((1H-1,2,4-triazol-1-yl)methyl)-2-(3',5'-difluor
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Mol. Formula:
C24H18F2N4O

M.W.:
416.43

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
52.30

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4868032

Name:
(4S,5R)-4-((1H-imidazole-1-yl)methyl)-2-([1,1'-bip
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Mol. Formula:
C20H19N3O

M.W.:
317.39

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
39.41

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4865022

Name:
8-(4-((4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1
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Mol. Formula:
C30H40F2N6O4

M.W.:
586.68

42 activity values