Compounds

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4091414

Name:
(E)-(1'-(3-(4-Chlorophenyl)allyl)-5-fluorospiro[indoline-3,4'-piperidin]-1-Show More⌵

Mol. Formula:
C27H24ClF2N3O

M.W.:
479.96

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4075953

Name:
2-Fluoroethyl-(E)-1'-(3-(4-chlorophenyl)allyl)-5-fluorospiro[indoline-3,4'-Show More⌵

Mol. Formula:
C24H25ClF2N2O2

M.W.:
446.93

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4073803

Name:
(E)-(1'-(3-(4-Chlorophenyl)allyl)-5-fluorospiro[indoline-3,4'-piperidin]-1-Show More⌵

Mol. Formula:
C27H24Cl2FN3O

M.W.:
496.41

4 activity values

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4070488

Name:
(E)-(6-Bromopyridin-3-yl)(1'-(3-(4-chlorophenyl)allyl)-5-fluorospiro[indoliShow More⌵

Mol. Formula:
C27H24BrClFN3O

M.W.:
540.86

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4060009

Name:
(E)-(1'-(3-(4-Chlorophenyl)allyl)-5-fluorospiro[indoline-3,4'-piperidin]-1-Show More⌵

Mol. Formula:
C28H25ClF2N2O

M.W.:
478.97

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3590031

Name:
(+/-)-2-(ethyl(3-phenylpropyl)amino)cyclohexanol

Mol. Formula:
C17H27NO

M.W.:
261.41

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3590030

Name:
(+/-)-2-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)cyclohexanol

Mol. Formula:
C17H23NO

M.W.:
257.38

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3590029

Name:
(+/-)-2-(4-phenyl-piperazin-1-yl)-cyclohexanol

Mol. Formula:
C16H24N2O

M.W.:
260.38

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
26.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA3589879

Name:
(+/-)-(1-(5-(4-fluorobenzyloxy)-2-hydroxycyclohexyl)piperidin-4-yl)-(4-fluoShow More⌵

Mol. Formula:
C25H29F2NO3

M.W.:
429.51

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3589878

Name:
(+/-)-2-(1,4'-bipiperidin-1'-yl)-4-(4-fluorobenzyloxy)cyclohexanol

Mol. Formula:
C23H35FN2O2

M.W.:
390.54

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3589877

Name:
(+/-)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-fluorobenzyloxy)cyclohexanol

Mol. Formula:
C22H26FNO2

M.W.:
355.45

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3589876

Name:
(+/-)-2-(4-benzylpiperidin-1-yl)-4-(4-fluorobenzyloxy)cyclohexanol

Mol. Formula:
C25H32FNO2

M.W.:
397.53

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3589875

Name:
(+/-)-2-(4,4-diphenylpiperidin-1-yl)-4-(4-fluorobenzyloxy)cyclohexanol

Mol. Formula:
C30H34FNO2

M.W.:
459.61

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3589874

Name:
(+/-)-1-(1-(5-(4-fluorobenzyloxy)-2-hydroxycyclohexyl)-4-phenylpiperidin-4-Show More⌵

Mol. Formula:
C26H32FNO3

M.W.:
425.54

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3589873

Name:
(+/-)-1-(5-(4-fluorobenzyloxy)-2-hydroxycyclohexyl)-4-phenylpiperidin-4-ol

Mol. Formula:
C24H30FNO3

M.W.:
399.51

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3589872

Name:
(+/-)-2-(ethyl(3-phenylpropyl)amino)-4-(4-fluorobenzyloxy)cyclohexanol

Mol. Formula:
C24H32FNO2

M.W.:
385.52

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3589871

Name:
(+/-)-4-(4-fluorobenzyloxy)-2-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)cycloheShow More⌵

Mol. Formula:
C24H28FNO2

M.W.:
381.49

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3589870

Name:
(+/-)-4-(4-fluorobenzyloxy)-2-(4-phenylpiperazin-1-yl)cyclohexanol

Mol. Formula:
C23H29FN2O2

M.W.:
384.50

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
35.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3589869

Name:
(+/-)-4-(4-fluorobenzyloxy)-2-(4-phenylpiperidin-1-yl)cyclohexanol

Mol. Formula:
C24H30FNO2

M.W.:
383.51