Compounds

Type:
Small molecule

AlogP:
-0.99

Polar Surface Area:
93.98

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1088558

Name:
(2R,3R,4S)-2{{(1R)-2-Hydroxy-1-{4-[(phenylmethoxy)
Show More⌵

Mol. Formula:
C20H26N2O4

M.W.:
358.44

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
93.98

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1087105

Name:
(2R,3R,4S)-2{{{(1R)-2-Hydroxy-1-[4-(prop-2-enyloxy
Show More⌵

Mol. Formula:
C16H24N2O4

M.W.:
308.38

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
93.98

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1097686

Name:
(2R,3R,4S)-2{{{(1R)-2-Hydroxy-1-[4-(3-thienyl)phen
Show More⌵

Mol. Formula:
C17H22N2O3S

M.W.:
334.44

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
84.75

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1087195

Name:
(2R,3R,4S)-2-{{{(1R)-2-Hydroxy-1-[4'-(trifluoromet
Show More⌵

Mol. Formula:
C20H23F3N2O3

M.W.:
396.41

72 activity values

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
84.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1087082

Name:
(2R,3R,4S)-2{{[(1R)-1-[1,1'-Biphenyl]-4-yl-2-hydro
Show More⌵

Mol. Formula:
C19H24N2O3

M.W.:
328.41

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
84.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3916051

Name:
(5S,6S,7S,7aR)-5-(hydroxymethyl)-3-(octylimino)hex
Show More⌵

Mol. Formula:
C15H28N2O3S

M.W.:
316.47

16 activity values

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
76.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3216704

Name:
(3S,4S,5R,6R)-3-Aminomethyl-6-methylhexahydropyrid
Show More⌵

Mol. Formula:
C6H17Cl2N3O2

M.W.:
234.13

5 activity values

Type:
Small molecule

AlogP:
-2.47

Polar Surface Area:
90.54

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3216051

Name:
(3S,4S,5R,6R)-3-[((2S)-2-Amino-3-phenyl)propanoyla
Show More⌵

Mol. Formula:
C15H26Cl2N4O3

M.W.:
381.30

5 activity values

Type:
Small molecule

AlogP:
-1.74

Polar Surface Area:
119.64

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3215812

Name:
(3S,4S,5R,6S)-3-[((2S)-2-Amino-6-phenyl)propanoyla
Show More⌵

Mol. Formula:
C15H26Cl2N4O3

M.W.:
381.30

6 activity values

Type:
Small molecule

AlogP:
-1.74

Polar Surface Area:
119.64

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3215810

Name:
(3S,4S,5R,6S)-3-Aminomethyl-6-methylhexahydropyrid
Show More⌵

Mol. Formula:
C6H17Cl2N3O2

M.W.:
234.13

5 activity values

Type:
Small molecule

AlogP:
-2.47

Polar Surface Area:
90.54

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2409348

Name:
(2S,3S,4R,5R,6R)-2-Ethylazepan-3,4,5,6-tetraol hyd
Show More⌵

Mol. Formula:
C8H18ClNO4

M.W.:
227.69

Type:
Small molecule

AlogP:
-2.19

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2409347

Name:
(2R,3S,4R,5R,6R)-2-Ethylazepan-3,4,5,6-tetraol hyd
Show More⌵

Mol. Formula:
C8H18ClNO4

M.W.:
227.69

Type:
Small molecule

AlogP:
-2.19

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2409346

Name:
(2S,3S,4R,5R,6R)-2-Propylazepan-3,4,5,6-tetraol hy
Show More⌵

Mol. Formula:
C9H20ClNO4

M.W.:
241.72

Type:
Small molecule

AlogP:
-1.80

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2409344

Name:
(2S,3S,4R,5R,6S)-2-Ethyl-6-(hydroxymethyl)piperidi
Show More⌵

Mol. Formula:
C8H18ClNO4

M.W.:
227.69

Type:
Small molecule

AlogP:
-2.19

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2409343

Name:
(2R,3S,4R,5R,6S)-2-Ethyl-6-(hydroxymethyl)piperidi
Show More⌵

Mol. Formula:
C8H18ClNO4

M.W.:
227.69

Type:
Small molecule

AlogP:
-2.19

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2409342

Name:
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-propylpiperid
Show More⌵

Mol. Formula:
C9H20ClNO4

M.W.:
241.71

Type:
Small molecule

AlogP:
-1.80

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2021446

Name:
(3S,4R,5R,6R,7R),N-(3,5,6-trihydroxy-7-hydroxymeth
Show More⌵

Mol. Formula:
C9H18N2O5

M.W.:
234.25

15 activity values

Type:
Small molecule

AlogP:
-2.85

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2021441

Name:
(3R,4S,5R,6R,7S),N-(3,5,6-trihydroxy-7-hydroxymeth
Show More⌵

Mol. Formula:
C9H18N2O5

M.W.:
234.25

14 activity values

Type:
Small molecule

AlogP:
-2.85

Polar Surface Area:
111.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2021440

Name:
(3S,4R,5R,6R,7S),N-(3,5,6-trihydroxy-7-hydroxymeth
Show More⌵

Mol. Formula:
C9H18N2O5

M.W.:
234.25

15 activity values