Compounds

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
88.49

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3948841

Name:
US9187470, 62

Mol. Formula:
C26H27N5O2

M.W.:
441.54

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
81.07

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3931843

Name:
US9187470, 117

Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3930928

Name:
US9187470, 124

Mol. Formula:
C21H20N4O3

M.W.:
376.42

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3895054

Name:
US9187470, 89

Mol. Formula:
C24H32N6O2S

M.W.:
468.63

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
84.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2087747

Name:
N-cyclopropyl-3-(3-(2-(dimethylamino)propan-2-yl)-
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Mol. Formula:
C22H24F3N5O

M.W.:
431.46

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
62.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2087746

Name:
3-(3-(2-aminopropan-2-yl)-6,8-difluoro-[1,2,4]tria
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Mol. Formula:
C20H20F3N5O

M.W.:
403.41

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
85.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2087745

Name:
3-(3-(3-chloropyridin-4-yl)-6,8-difluoro-[1,2,4]tr
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Mol. Formula:
C22H15ClF3N5O

M.W.:
457.84

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2087744

Name:
N-cyclopropyl-3-(3-cyclopropyl-6,8-difluoro-[1,2,4
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Mol. Formula:
C20H17F3N4O

M.W.:
386.38

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2087743

Name:
N-cyclopropyl-3-(6,8-difluoro-3-isopropyl-[1,2,4]t
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Cas Number:
1057394-07-6

Mol. Formula:
C20H19F3N4O

M.W.:
388.39

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2087742

Name:
3-(3-tert-butyl-6,8-difluoro-[1,2,4]triazolo[4,3-a
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Cas Number:
1057394-06-5

Mol. Formula:
C21H21F3N4O

M.W.:
402.42

38 activity values

18 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2087741

Name:
3-(3-tert-butyl-6,8-difluoro-[1,2,4]triazolo[4,3-a
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Mol. Formula:
C21H22F2N4O

M.W.:
384.43

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2087526

Name:
N-cyclopropyl-3-fluoro-5-(3-(2-hydroxypropan-2-yl)
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Mol. Formula:
C20H21FN4O2

M.W.:
368.41

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
79.52

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2087525

Name:
N-cyclopropyl-3-fluoro-4-methyl-5-(3-(2-(methylsul
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Mol. Formula:
C21H24FN5O3S

M.W.:
445.52

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
105.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2087524

Name:
N-cyclopropyl-3-(3-(2-(dimethylamino)propan-2-yl)-
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Mol. Formula:
C22H26FN5O

M.W.:
395.48

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
62.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2087523

Name:
3-(3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-
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Mol. Formula:
C22H24FN5O2

M.W.:
409.47

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
88.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2087522

Name:
N-cyclopropyl-3-fluoro-5-(3-(2-methoxypropan-2-yl)
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Mol. Formula:
C21H23FN4O2

M.W.:
382.44

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
68.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2087521

Name:
3-(3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]py
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Mol. Formula:
C20H22FN5O

M.W.:
367.43

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
85.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2087520

Name:
7-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylpheny
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Mol. Formula:
C18H16FN5O2

M.W.:
353.36

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
102.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2087519

Name:
N-cyclopropyl-3-fluoro-4-methyl-5-(3-(trifluoromet
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Mol. Formula:
C18H14F4N4O

M.W.:
378.33