Compounds

Type:
---

AlogP:
3.21

Polar Surface Area:
25.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5200048

Name:
rac-2-(6-methoxybenzofuran-2-yl)-1-methylpyrrolidine

Mol. Formula:
C14H17NO2

M.W.:
231.29

Type:
---

AlogP:
3.21

Polar Surface Area:
25.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5186760

Name:
rac-2-(benzofuran-3-yl)-1-methylpyrrolidine

Mol. Formula:
C13H15NO

M.W.:
201.27

3 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
16.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5183330

Name:
rac-2-(6-hydroxybenzofuran-2-yl)-1-methylpyrrolidine

Mol. Formula:
C13H15NO2

M.W.:
217.27

7 activity values

3 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
36.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA5178221

Name:
rac-2-(5-hydroxybenzofuran-2-yl)-1-methylpyrrolidine

Mol. Formula:
C13H15NO2

M.W.:
217.27

Type:
---

AlogP:
2.91

Polar Surface Area:
36.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA5091100

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl biphenyl-Show More⌵

Mol. Formula:
C25H29NO2

M.W.:
375.51

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5088865

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 4'-acetamShow More⌵

Mol. Formula:
C27H32N2O3

M.W.:
432.56

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5088482

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(2-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5085133

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(6-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

8 activity values

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5084512

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(5-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

8 activity values

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5082799

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(4-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

8 activity values

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5078517

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(6-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5076295

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 3'-acetamShow More⌵

Mol. Formula:
C27H32N2O3

M.W.:
432.56

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5075587

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(pyridiShow More⌵

Mol. Formula:
C24H28N2O2

M.W.:
376.50

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5075251

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(pyridiShow More⌵

Mol. Formula:
C24H28N2O2

M.W.:
376.50

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5073704

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(pyridiShow More⌵

Mol. Formula:
C24H28N2O2

M.W.:
376.50

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5069624

Name:
((1S,5S)-3-ethyl-9-methylene-3-azabicyclo[3.3.1]nonan-1-yl)methyl 2-(5-acetShow More⌵

Mol. Formula:
C26H31N3O3

M.W.:
433.55

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4798114

Name:
Hosieine D

Mol. Formula:
C15H20N2O2

M.W.:
260.34

1 unique targets

Type:
Unknown

AlogP:
0.65

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4793576

Name:
Hosieine C

Mol. Formula:
C14H18N2O

M.W.:
230.31

1 unique targets

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
34.03

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4791046

Name:
Hosieine B

Mol. Formula:
C15H20N2O2

M.W.:
260.34