Compounds

ALA4579003

Name:
((2S,4R)-4-(Dodecyloxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C17H36ClNO2

M.W.:
321.93

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4565060

Name:
((2R,4S)-4-((4-dodecylbenzyl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C24H42ClNO2

M.W.:
412.06

3 activity values

1 unique targets

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4563196

Name:
((2S,4R)-4-((4-tetradecylbenzyl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C26H46ClNO2

M.W.:
440.11

3 activity values

1 unique targets

Type:
Unknown

AlogP:
6.17

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4561149

Name:
((2S,4R)-4-(4-decylbenzyloxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C22H38ClNO2

M.W.:
384.00

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4554223

Name:
((2R,4S)-1-methyl-4-(4-((E)-oct-1-enyl)benzyloxy)pyrrolidin-2-yl)methanol hShow More⌵

Mol. Formula:
C21H34ClNO2

M.W.:
367.96

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
32.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4549447

Name:
(2R,4S)-2-(Hydroxymethyl)-4-((4-octylbenzyl)oxy)pyrrolidine-1-carboximidamiShow More⌵

Mol. Formula:
C21H37Cl2N3O2

M.W.:
434.45

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
82.57

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4549134

Name:
((2R,4S)-4-((4-((E)-Oct-1-en-1-yl)benzyl)oxy)pyrrolidin-2-yl)methanol hydroShow More⌵

Mol. Formula:
C20H32ClNO2

M.W.:
353.93

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4548392

Name:
((2R,4S)-4-(4-hexylbenzyloxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C18H30ClNO2

M.W.:
327.90

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4537682

Name:
((2S,4R)-4-((4-((E)-tetradec-1-en-1-yl)benzyl)oxy)pyrrolidin-2-yl)methanol Show More⌵

Mol. Formula:
C26H44ClNO2

M.W.:
438.10

3 activity values

1 unique targets

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4537389

Name:
((2S,4R)-4-(4-((E)-hex-1-enyl)benzyloxy)pyrrolidin-2-yl)methanol hydrochlorShow More⌵

Mol. Formula:
C18H28ClNO2

M.W.:
325.88

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4533650

Name:
((2S,4R)-4-(((E)-Dodec-2-en-1-yl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C17H34ClNO2

M.W.:
319.92

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4529441

Name:
((2S,4R)-4-((4-((E)-Oct-1-en-1-yl)benzyl)oxy)pyrrolidin-2-yl)methanol hydroShow More⌵

Mol. Formula:
C20H32ClNO2

M.W.:
353.93

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4520668

Name:
((2S,4R)-4-((4-((E)-dodec-1-en-1-yl)benzyl)oxy)pyrrolidin-2-yl)methanol hydShow More⌵

Mol. Formula:
C24H40ClNO2

M.W.:
410.04

3 activity values

1 unique targets

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4517011

Name:
((2R,4S)-4-(((E)-Dodec-2-en-1-yl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C17H34ClNO2

M.W.:
319.92

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4473025

Name:
((2R,4S)-4-((4-tetradecylbenzyl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C26H46ClNO2

M.W.:
440.11

3 activity values

1 unique targets

Type:
Unknown

AlogP:
6.17

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4470217

Name:
(2S,4R)-2-(Hydroxymethyl)-4-((4-octylbenzyl)oxy)pyrrolidine-1-carboximidamiShow More⌵

Mol. Formula:
C21H37Cl2N3O2

M.W.:
434.45

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
82.57

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4467484

Name:
1-((2R,4S)-2-(hydroxymethyl)-4-(4-octylbenzyloxy)pyrrolidin-1-yl)ethanone

Mol. Formula:
C22H35NO3

M.W.:
361.53

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4467146

Name:
((2R,4S)-4-(Dodecyloxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C17H36ClNO2

M.W.:
321.93

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4460092

Name:
((2S,4R)-4-((4-dodecylbenzyl)oxy)pyrrolidin-2-yl)methanol hydrochloride

Mol. Formula:
C24H42ClNO2

M.W.:
412.06

3 activity values

1 unique targets

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4457876

Name:
1-((2S,3R)-2-(Hydroxymethyl)-3-(4-((E)-oct-1-en-1-yl)phenyl)pyrrolidin-1-ylShow More⌵

Mol. Formula:
C21H31NO2

M.W.:
329.48

3 activity values

1 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS