Compounds

ALA3100024

Name:
trans-1-(2-bromophenyl)-3-(4-(4-fluorophenoxy)cycl
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Mol. Formula:
C19H20BrFN2O2

M.W.:
407.28

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3100022

Name:
trans-1-(3-chlorophenyl)-3-(4-(4-fluorophenoxy)cyc
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Mol. Formula:
C19H20ClFN2O2

M.W.:
362.83

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3100021

Name:
trans-1-(2-chlorophenyl)-3-(4-(4-fluorophenoxy)cyc
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Mol. Formula:
C19H20ClFN2O2

M.W.:
362.83

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3100019

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-fluor
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Mol. Formula:
C19H20F2N2O2

M.W.:
346.38

8 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3100017

Name:
trans-1-(4-(3-(Trifluoromethyl)phenoxy)cyclohexyl)
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Mol. Formula:
C21H20F6N2O2

M.W.:
446.39

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3100016

Name:
trans-1-(4-(2-(Trifluoromethyl)phenoxy)cyclohexyl)
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Mol. Formula:
C21H20F6N2O2

M.W.:
446.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3098149

Name:
trans-1-(4-(4-(Trifluoromethyl)phenoxy)cyclohexyl)
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Mol. Formula:
C21H20F6N2O2

M.W.:
446.39

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3100015

Name:
trans-1-(4-(4-(Trifluoromethoxy)phenoxy)cyclohexyl
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Mol. Formula:
C21H20F6N2O3

M.W.:
462.39

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.12

Polar Surface Area:
59.59

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3100014

Name:
trans-1-(4-(4-Chlorophenoxy)cyclohexyl)-3-(3-(trif
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Mol. Formula:
C20H20ClF3N2O2

M.W.:
412.84

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3100013

Name:
trans-1-(4-(3-Fluorophenoxy)cyclohexyl)-3-(3-(trif
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Mol. Formula:
C20H20F4N2O2

M.W.:
396.38

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3100012

Name:
trans-1-(4-(2-Fluorophenoxy)cyclohexyl)-3-(3-(trif
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Mol. Formula:
C20H20F4N2O2

M.W.:
396.38

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3100011

Name:
trans-4-(3-(4-(4-fluorophenoxy)cyclohexyl)ureido)b
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Mol. Formula:
C20H21FN2O4

M.W.:
372.40

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
87.66

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3100008

Name:
trans-methyl 4-(3-(4-(4-fluorophenoxy)cyclohexyl)u
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Mol. Formula:
C21H23FN2O4

M.W.:
386.42

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3100007

Name:
trans-methyl 3-(3-(4-(4-fluorophenoxy)cyclohexyl)u
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Mol. Formula:
C21H23FN2O4

M.W.:
386.42

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3100006

Name:
cis-Methyl 2-(3-(4-(4-fluorophenoxy)cyclohexyl)ure
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Mol. Formula:
C21H23FN2O4

M.W.:
386.42

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3100004

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-(meth
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Mol. Formula:
C20H23FN2O2S

M.W.:
374.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3100002

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(4-nitro
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Mol. Formula:
C19H20FN3O4

M.W.:
373.38

14 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
93.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3100001

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-nitro
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Mol. Formula:
C19H20FN3O4

M.W.:
373.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
93.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3099998

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-metho
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Mol. Formula:
C20H23FN2O3

M.W.:
358.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
59.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3099995

Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-m-tolylu
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Mol. Formula:
C20H23FN2O2

M.W.:
342.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS