Compounds

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
66.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2270106

Name:
4-tert-Butyl-1-(4-chloro-5-(cyclopentyloxy)-2-fluo
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Mol. Formula:
C19H24ClFN2O3

M.W.:
382.86

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2270105

Name:
1-(4-Chloro-5-cyclopentyloxy-2-fluorophenyl)-4-met
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Mol. Formula:
C16H18ClFN2O3

M.W.:
340.78

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2270104

Name:
1-(4-Chloro-5-propargyloxy-2-fluorophenyl)-4-methy
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Mol. Formula:
C14H12ClFN2O3

M.W.:
310.71

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2270103

Name:
2-(4-Chloro-5-cyclopentyloxy-2-fluorophenyl)-tetra
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Mol. Formula:
C18H20ClFN2O3

M.W.:
366.82

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2270102

Name:
2-(4-Chloro-5-cyclopentyloxy-2-fluorophenyl)-tetra
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Mol. Formula:
C19H22ClFN2O3

M.W.:
380.85

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2270101

Name:
2-(4-Chloro-2-fluoro-5-methoxy phenyl)-tetrahydro-
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Mol. Formula:
C15H16ClFN2O3

M.W.:
326.76

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2268501

Name:
2-(4,5-Dichloro-2-fluorophenyl)-tetrahydro-2H-pyri
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Mol. Formula:
C14H13Cl2FN2O2

M.W.:
331.17

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2270100

Name:
2-(4-Chloro-2-fluorophenyl)-tetrahydro-2H-pyrido[1
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Mol. Formula:
C14H14ClFN2O2

M.W.:
296.73

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA2228786

Name:
(E)-4-ethoxy-4-oxobut-2-en-2-yl 2-chloro-5-(2-chlo
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Mol. Formula:
C20H15Cl2F3O5

M.W.:
463.24

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2228785

Name:
(E)-1-ethoxy-1-oxohex-2-en-3-yl 5-(2-chloro-4-(tri
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Mol. Formula:
C22H19ClF3NO7

M.W.:
501.84

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2228784

Name:
(E)-1-methoxy-1-oxopent-2-en-3-yl 5-(2-chloro-4-(t
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Mol. Formula:
C20H15ClF3NO7

M.W.:
473.79

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2228783

Name:
(E)-4-ethoxy-1,1,1-trifluoro-4-oxobut-2-en-2-yl 5-
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Mol. Formula:
C20H12ClF6NO7

M.W.:
527.76

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA2228782

Name:
(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl 5-(2-chlo
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Mol. Formula:
C21H17ClF3NO7

M.W.:
487.81

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2228781

Name:
(E)-4-(allyloxy)-4-oxobut-2-en-2-yl 5-(2-chloro-4-
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Mol. Formula:
C21H15ClF3NO7

M.W.:
485.80

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2228780

Name:
(E)-4-tert-butoxy-4-oxobut-2-en-2-yl 5-(2-chloro-4
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Mol. Formula:
C22H19ClF3NO7

M.W.:
501.84

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
104.97

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2228663

Name:
(E)-4-(2-methoxyethoxy)-4-oxobut-2-en-2-yl 5-(2-ch
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Mol. Formula:
C21H17ClF3NO8

M.W.:
503.81