Compounds

Type:
Small molecule

AlogP:
0.18

Polar Surface Area:
64.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2207395

Name:
N-benzyl-N-((((2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl)methylamino)methyl)acShow More⌵

Mol. Formula:
C15H23N3O3

M.W.:
293.37

4 activity values

Type:
Small molecule

AlogP:
-0.72

Polar Surface Area:
84.83

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2207394

Name:
(2R,3R,4S)-2-((1-phenylethylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C13H20N2O2

M.W.:
236.32

Type:
Small molecule

AlogP:
0.03

Polar Surface Area:
64.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2207393

Name:
(2R,3R,4S)-2-((1-hydroxy-1,1-diphenylpropan-2-ylamino)methyl)pyrrolidine-3,Show More⌵

Mol. Formula:
C20H26N2O3

M.W.:
342.44

4 activity values

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
84.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2207392

Name:
(2R,3R,4S)-2-(((1H-imidazol-1-yl)methylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C9H16N4O2

M.W.:
212.25

Type:
Small molecule

AlogP:
-1.88

Polar Surface Area:
82.34

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2207391

Name:
(2R,3R,4S)-2-((thiophen-2-ylmethylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C10H16N2O2S

M.W.:
228.32

Type:
Small molecule

AlogP:
-0.47

Polar Surface Area:
64.52

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2207390

Name:
(2R,3R,4S)-2-((furan-2-ylmethylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C10H16N2O3

M.W.:
212.25

Type:
Small molecule

AlogP:
-0.94

Polar Surface Area:
77.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2206829

Name:
(2R,3R,4S)-2-(((1-benzylpiperidin-4-yl)methylamino)methyl)pyrrolidine-3,4-dShow More⌵

Mol. Formula:
C18H29N3O2

M.W.:
319.45

Type:
Small molecule

AlogP:
0.18

Polar Surface Area:
67.76

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2206828

Name:
(2R,3R,4S)-2-((cyclopentylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C10H20N2O2

M.W.:
200.28

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
64.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2206825

Name:
(2R,3R,4S)-2-(aminomethyl)pyrrolidine-3,4-diol

Mol. Formula:
C5H12N2O2

M.W.:
132.16

Type:
Small molecule

AlogP:
-2.36

Polar Surface Area:
78.51

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2206824

Name:
2-bromo-N-((R)-2-(((2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl)methylamino)-2-pShow More⌵

Mol. Formula:
C20H24BrN3O3

M.W.:
434.33

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
93.62

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2206823

Name:
(2R,3R,4S)-2-(((R)-2-((4-bromophenoxy)methoxy)-1-phenylethylamino)methyl)pyShow More⌵

Mol. Formula:
C20H25BrN2O4

M.W.:
437.33

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
82.98

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2206822

Name:
(2R,3R,4S)-2-(((R)-2-((3-bromophenoxy)methoxy)-1-phenylethylamino)methyl)pyShow More⌵

Mol. Formula:
C20H25BrN2O4

M.W.:
437.33

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
82.98

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2206821

Name:
(2R,3R,4S)-2-(((R)-2-((4-fluorophenoxy)methoxy)-1-phenylethylamino)methyl)pShow More⌵

Mol. Formula:
C20H25FN2O4

M.W.:
376.43

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
82.98

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2206820

Name:
(2R,3R,4S)-2-(((R)-2-((2-fluorophenoxy)methoxy)-1-phenylethylamino)methyl)pShow More⌵

Mol. Formula:
C20H25FN2O4

M.W.:
376.43

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
82.98

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2206819

Name:
(2R,3R,4S)-2-(((R)-2-(3-fluorobenzyloxy)-1-phenylethylamino)methyl)pyrrolidShow More⌵

Mol. Formula:
C20H25FN2O3

M.W.:
360.43

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
73.75

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2206818

Name:
(2R,3R,4S)-2-(((R)-2-(benzyloxy)-1-phenylethylamino)methyl)pyrrolidine-3,4-Show More⌵

Mol. Formula:
C20H26N2O3

M.W.:
342.44

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
73.75

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2206817

Name:
(2R,3R,4S)-2-(((R)-2-methoxy-1-phenylethylamino)methyl)pyrrolidine-3,4-diol

Mol. Formula:
C14H22N2O3

M.W.:
266.34

Type:
Small molecule

AlogP:
-0.34

Polar Surface Area:
73.75

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2206816

Name:
(2R,3R,4S,5R)-2-(((R)-2-hydroxy-1-phenylethylamino)methyl)-5-(hydroxymethylShow More⌵

Mol. Formula:
C14H22N2O4

M.W.:
282.34

Type:
Small molecule

AlogP:
-1.64

Polar Surface Area:
104.98

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2206815

Name:
(2R,3R,4S)-2-(2,2-dihydroxyethyl)pyrrolidine-3,4-diol

Mol. Formula:
C6H13NO4

M.W.:
163.17