Compounds

Type:
---

AlogP:
4.87

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5202045

Name:
5-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C27H28N2O6

M.W.:
476.53

Type:
---

AlogP:
4.47

Polar Surface Area:
101.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5200887

Name:
4-((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)butShow More⌵

Mol. Formula:
C45H50N4O9

M.W.:
790.91

10 activity values

Type:
---

AlogP:
5.99

Polar Surface Area:
171.68

HBA:
11

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5200448

Name:
Methyl 4-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenShow More⌵

Mol. Formula:
C30H32N2O5

M.W.:
500.60

Type:
---

AlogP:
4.96

Polar Surface Area:
77.10

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5208201

Name:
(R/S)-4-(((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)aShow More⌵

Mol. Formula:
C44H48N4O8

M.W.:
760.89

8 activity values

Type:
---

AlogP:
5.98

Polar Surface Area:
162.45

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5207792

Name:
5-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C27H28N4O5

M.W.:
488.54

Type:
---

AlogP:
3.66

Polar Surface Area:
113.88

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5195224

Name:
4-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C27H28N2O5S

M.W.:
492.60

Type:
---

AlogP:
4.94

Polar Surface Area:
88.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5195203

Name:
rac-Methyl 4-((3-(Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenShow More⌵

Mol. Formula:
C30H32N2O5

M.W.:
500.60

Type:
---

AlogP:
4.96

Polar Surface Area:
77.10

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5194569

Name:
2-Fluoro-4-((3-((S)-phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phShow More⌵

Mol. Formula:
C29H29FN2O5

M.W.:
504.56

Type:
---

AlogP:
5.01

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5193865

Name:
Methyl 4-((3-((R)-Phenyl(((R)-quinuclidin-3-yloxy)-carbonylamino)methyl)pheShow More⌵

Mol. Formula:
C30H32N2O5

M.W.:
500.60

Type:
---

AlogP:
4.96

Polar Surface Area:
77.10

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5193853

Name:
4-((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)butShow More⌵

Mol. Formula:
C44H48N4O8

M.W.:
760.89

9 activity values

Type:
---

AlogP:
5.98

Polar Surface Area:
162.45

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5193776

Name:
3-Fluoro-4-((3-((S)-phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phShow More⌵

Mol. Formula:
C29H29FN2O5

M.W.:
504.56

Type:
---

AlogP:
5.01

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5187593

Name:
2-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C26H27N3O5S

M.W.:
493.59

Type:
---

AlogP:
4.33

Polar Surface Area:
100.99

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5184598

Name:
4-((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)-ethylamino)buShow More⌵

Mol. Formula:
C44H48N4O8

M.W.:
760.89

10 activity values

Type:
---

AlogP:
5.98

Polar Surface Area:
162.45

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5181855

Name:
2-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C26H27N3O6

M.W.:
477.52

Type:
---

AlogP:
3.86

Polar Surface Area:
114.13

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5180420

Name:
3-Methoxy-4-((3-((S)-phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)pShow More⌵

Mol. Formula:
C30H32N2O6

M.W.:
516.59

Type:
---

AlogP:
4.88

Polar Surface Area:
97.33

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5179380

Name:
5-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phenoxy)metShow More⌵

Mol. Formula:
C28H29N3O5

M.W.:
487.56

Type:
---

AlogP:
4.27

Polar Surface Area:
100.99

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5178217

Name:
1-Methyl-3-((3-((S)-phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)phShow More⌵

Mol. Formula:
C27H30N4O5

M.W.:
490.56

Type:
---

AlogP:
3.61

Polar Surface Area:
105.92

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5177499

Name:
(1S,4R)-4-((3-((S)-Phenyl(((R)-quinuclidin-3-yloxy)carbonylamino)methyl)pheShow More⌵

Mol. Formula:
C29H36N2O5

M.W.:
492.62