Compounds

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
99.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4537756

Name:
NA

Mol. Formula:
C19H19N5O2

M.W.:
349.39

8 activity values

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4536051

Name:
NA

Mol. Formula:
C23H23N7O2

M.W.:
429.48

3 activity values

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
99.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4521694

Name:
N-(6-(4-Methyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)
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Mol. Formula:
C16H15N5O2

M.W.:
309.33

8 activity values

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4551282

Name:
N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-
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Mol. Formula:
C18H19N5O2

M.W.:
337.38

7 activity values

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4569388

Name:
5(5)-(4-Methyl-1H-imidazol-1-yl)-1(4)H-6-oxa-3-aza
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Mol. Formula:
C22H21N7O2

M.W.:
415.46

12 activity values

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
99.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4514925

Name:
rac-10-Methyl-14H-6-oxa-3-aza-2(2,6)-pyridina-1(3,
Show More⌵

Mol. Formula:
C19H19N5O2

M.W.:
349.39

8 activity values

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4548492

Name:
5(5)-Morpholino-1(4)H-6-oxa-3-aza-2(2,6)-pyridina-
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Mol. Formula:
C22H24N6O3

M.W.:
420.47

12 activity values

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
94.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4744931

Name:
1-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-
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Mol. Formula:
C20H21N9O

M.W.:
403.45

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
115.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4744430

Name:
Isopropyl(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyr
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Mol. Formula:
C14H19N5O2

M.W.:
289.34

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4744428

Name:
(R)-4-(6-cyclopropylpyridin-3-yl)-N-(6-(4-isopropy
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Mol. Formula:
C23H27N7O2

M.W.:
433.52

25 activity values

12 unique targets

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
98.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4743649

Name:
N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-
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Mol. Formula:
C16H22N6O2

M.W.:
330.39

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4741998

Name:
1-Benzyl-3-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)p
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Mol. Formula:
C18H20N6O

M.W.:
336.40

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
84.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4764071

Name:
(R)-1-(6-(4-(1-hydroxylpropan-2-yl)-4H-1,2,4-triaz
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Mol. Formula:
C20H19N7O2

M.W.:
389.42

7 activity values

5 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
117.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4763562

Name:
1-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-
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Mol. Formula:
C20H19N7O

M.W.:
373.42

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
97.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4762235

Name:
Benzyl(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridi
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Mol. Formula:
C18H19N5O2

M.W.:
337.38

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4761865

Name:
(R)-1-(6-(4-(1-hydroxylpropan-2-yl)-4H-1,2,4-triaz
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Mol. Formula:
C19H18N8O2

M.W.:
390.41

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
130.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4759766

Name:
1-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-
Show More⌵

Mol. Formula:
C20H19N7O

M.W.:
373.42