Compounds

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3741179

Name:
5-chloro-1-isobutyl-6-isopropyl-3-(1H-pyrazol-1-yl
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Mol. Formula:
C14H19ClN4O

M.W.:
294.79

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3742267

Name:
5-chloro-6-cyclopropyl-1-isobutyl-3-(1H-pyrazol-1-
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Mol. Formula:
C14H17ClN4O

M.W.:
292.77

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3740947

Name:
5-chloro-6-cyclopentyl-1-isobutyl-3-(1H-pyrazol-1-
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Mol. Formula:
C16H21ClN4O

M.W.:
320.82

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3741785

Name:
5-chloro-6-(2-chloro-4-fluorophenyl)-1-isobutyl-3-
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Mol. Formula:
C17H15Cl2FN4O

M.W.:
381.24

12 activity values

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3740643

Name:
5-chloro-1-isobutyl-3-(1H-pyrazol-1-yl)-6-(2,3,6-t
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Mol. Formula:
C17H14ClF3N4O

M.W.:
382.77

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3741157

Name:
6-(2,6-difluorophenyl)-1-isobutyl-3-(1H-pyrazol-1-
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Mol. Formula:
C17H16F2N4O

M.W.:
330.34

2 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3741256

Name:
6-(2,6-difluorophenyl)-1-isobutyl-5-methyl-3-(1H-p
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Mol. Formula:
C18H18F2N4O

M.W.:
344.37

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3741866

Name:
5-bromo-6-(2,6-difluorophenyl)-1-isobutyl-3-(1H-py
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Mol. Formula:
C17H15BrF2N4O

M.W.:
409.23

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3740421

Name:
N-(6-chloro-5-(2,6-difluorophenyl)-4-isobutyl-3-ox
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Mol. Formula:
C16H16ClF2N3O2

M.W.:
355.77

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3739834

Name:
(S)-6-chloro-5-(2,6-difluorophenyl)-N-methyl-4-(2-
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Mol. Formula:
C17H18ClF2N3O2

M.W.:
369.80

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3739443

Name:
(S)-6-chloro-5-(2,6-difluorophenyl)-4-(2-methylbut
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Mol. Formula:
C16H16ClF2N3O2

M.W.:
355.77

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
77.98

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3740469

Name:
(S)-6-chloro-5-(2,6-difluorophenyl)-4-(2-methylbut
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Mol. Formula:
C16H14ClF2N3O

M.W.:
337.76

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3741273

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(thia
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Mol. Formula:
C17H14ClF2N3OS

M.W.:
381.83

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
47.78

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3739543

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(pyra
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Mol. Formula:
C18H15ClF2N4O

M.W.:
376.79

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
60.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3739550

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(pyri
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Mol. Formula:
C19H16ClF2N3O

M.W.:
375.81

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3740626

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(pyri
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Mol. Formula:
C19H16ClF2N3O

M.W.:
375.81

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3741438

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(pyri
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Mol. Formula:
C19H16ClF2N3O

M.W.:
375.81

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3740818

Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(1-me
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Mol. Formula:
C18H17ClF2N4O

M.W.:
378.81

12 activity values

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
52.71

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3740537

Name:
(S)-5-chloro-6-(2,6-difluorophenyl)-1-(2-methylbut
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Mol. Formula:
C17H16ClF2N5O

M.W.:
379.80