Compounds

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
35.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.34

DETAILS

ALA4554552

Name:
3-Fluorophenyl t-butyl nitrone

Mol. Formula:
C11H14FNO

M.W.:
195.24

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.29

DETAILS

ALA4526803

Name:
4-Fluorophenyl t-butyl nitrone

Mol. Formula:
C11H14FNO

M.W.:
195.24

11 activity values

3 unique targets

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.29

DETAILS

ALA4757869

Name:
(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl
Show More⌵

Mol. Formula:
C19H29NO2

M.W.:
303.45

3 activity values

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4795212

Name:
((R/S)-3-amino-1-(3-((5-fluoro-2-(3-fluoropropyl)p
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Mol. Formula:
C17H27F2NO2

M.W.:
315.40

7 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4460257

Name:
3,4-Difluorophenyl t-butyl nitrone

Mol. Formula:
C11H13F2NO

M.W.:
213.23

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.30

DETAILS

ALA4468736

Name:
2-Fluorophenyl t-butyl nitrone

Mol. Formula:
C11H14FNO

M.W.:
195.24

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.29

DETAILS

ALA4563763

Name:
4-Trifluoromethylphenyl t-butyl nitrone

Mol. Formula:
C12H14F3NO

M.W.:
245.24

11 activity values

3 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
26.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4781327

Name:
Rac-Emixustat

Cas Number:
1141776-83-1

Mol. Formula:
C16H25NO2

M.W.:
263.38

5 activity values

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5094949

Name:
(S)-3-amino-1-(4-fluoro-3-(2-propylpentyloxy)pheny
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Mol. Formula:
C17H28FNO2

M.W.:
297.41

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5094849

Name:
3-amino-1-(2-fluoro-5-((2,6,6-trimethylcyclohex-1-
Show More⌵

Mol. Formula:
C19H28FNO2

M.W.:
321.44

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5092414

Name:
3-amino-1-(4-fluoro-3-((2,6,6-trimethylcyclohex-1-
Show More⌵

Mol. Formula:
C19H28FNO2

M.W.:
321.44

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5091011

Name:
3-amino-1-(3-(cyclohexylmethoxy)-4-fluorophenyl)pr
Show More⌵

Mol. Formula:
C16H24FNO2

M.W.:
281.37

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5086566

Name:
3-amino-1-(3-fluoro-5-((2,6,6-trimethylcyclohex-1-
Show More⌵

Mol. Formula:
C19H28FNO2

M.W.:
321.44

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5084662

Name:
3-amino-1-(3-(cyclohexylmethoxy)-5-fluorophenyl)pr
Show More⌵

Mol. Formula:
C16H24FNO2

M.W.:
281.37

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5083918

Name:
(R)-3-amino-1-(4-fluoro-3-(2-propylpentyloxy)pheny
Show More⌵

Mol. Formula:
C17H28FNO2

M.W.:
297.41

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5083435

Name:
(R/S)-3-amino-1-(2-fluoro-3-(2-propylpentyloxy)phe
Show More⌵

Mol. Formula:
C17H28FNO2

M.W.:
297.41

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5081640

Name:
3-amino-1-(2-fluoro-3-((2,6,6-trimethylcyclohex-1-
Show More⌵

Mol. Formula:
C19H28FNO2

M.W.:
321.44

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5081450

Name:
3-amino-1-(5-(cyclohexylmethoxy)-2-fluorophenyl)pr
Show More⌵

Mol. Formula:
C16H24FNO2

M.W.:
281.37

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
55.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5080647

Name:
3-amino-1-(3-((4,4-difluorocyclohexyl)methoxy)phen
Show More⌵

Mol. Formula:
C16H23F2NO2

M.W.:
299.36

3 activity values