Compounds

Type:
Unknown

AlogP:
-0.87

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4558105

Name:
5-(2-Ethyl)hexanamido(S/R)-9-acetanamido-2,6-anhydro-3,5-dideoxy-D-glycero-Show More⌵

Mol. Formula:
C19H32N2O8

M.W.:
416.47

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4472555

Name:
5-(2-Methyl)hexanamido(S/R)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-nonShow More⌵

Mol. Formula:
C16H27NO8

M.W.:
361.39

Type:
Unknown

AlogP:
-1.26

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4467946

Name:
5-(N-2-azidoacetyl)-2,3,5-trideoxy-D-glycero-D-galacto-2-nonulopyranosonic Show More⌵

Mol. Formula:
C10H14N4O8

M.W.:
318.24

Type:
Unknown

AlogP:
-2.18

Polar Surface Area:
205.31

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4454422

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-(4-benzamidophenyl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C26H27N5O8

M.W.:
537.53

Type:
Unknown

AlogP:
0.15

Polar Surface Area:
196.13

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4454277

Name:
(2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-(benzamidomethyl)-1H-1,2,3-triazol-1Show More⌵

Mol. Formula:
C21H25N5O8

M.W.:
475.46

7 activity values

Type:
Unknown

AlogP:
-1.84

Polar Surface Area:
196.13

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4453020

Name:
5-(2-Methyl)hexanamido(S/R)-9-acetanamido-2,6-anhydro-3,5-dideoxy-D-glyceroShow More⌵

Mol. Formula:
C18H30N2O8

M.W.:
402.44

Type:
Unknown

AlogP:
-1.12

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4294730

Name:
5-Propionamido-9-pentanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactononShow More⌵

Mol. Formula:
C17H28N2O8

M.W.:
388.42

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4294661

Name:
5-Acetamido-9-(4-methylpentanamido)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galShow More⌵

Mol. Formula:
C17H28N2O8

M.W.:
388.42

Type:
Small molecule

AlogP:
-1.51

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4294428

Name:
5-Acetamido-9-hexanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-eShow More⌵

Mol. Formula:
C17H28N2O8

M.W.:
388.42

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4293651

Name:
5-Hexanamido-9-butanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-Show More⌵

Mol. Formula:
C19H32N2O8

M.W.:
416.47

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4292800

Name:
5-(2-(4-(4-(Dimethylamino)phenyl)-1H-1,2,3-triazol-1-yl))-acetamido-2,3,5-tShow More⌵

Mol. Formula:
C21H27N5O8

M.W.:
477.47

4 unique targets

Type:
Small molecule

AlogP:
-2.06

Polar Surface Area:
190.50

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4292528

Name:
5-(2-(4-(4-Carboxyphenyl)-1H-1,2,3-triazol-1-yl))acetamido-2,3,5-trideoxy-DShow More⌵

Mol. Formula:
C20H22N4O10

M.W.:
478.41

4 unique targets

Type:
Small molecule

AlogP:
-2.43

Polar Surface Area:
224.56

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4291991

Name:
5-(2-(4-(4-Acetamido)phenyl)-1H-1,2,3-triazol-1-yl))-acetamido-2,3,5-trideoShow More⌵

Mol. Formula:
C21H25N5O9

M.W.:
491.46

Type:
Small molecule

AlogP:
-2.17

Polar Surface Area:
216.36

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4291435

Name:
5-(2-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl))-acetamido-2,3,5-trideoxy-Show More⌵

Mol. Formula:
C20H24N4O9

M.W.:
464.43

Type:
Small molecule

AlogP:
-2.12

Polar Surface Area:
196.49

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4291325

Name:
5-Hexanamido-9-hexanamido-2,6-anhydro-3,5-dideoxy-Dglycero-D-galactonon-2-eShow More⌵

Mol. Formula:
C21H36N2O8

M.W.:
444.53

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4291251

Name:
5-Acetamido-9-isobutyramido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-Show More⌵

Mol. Formula:
C15H24N2O8

M.W.:
360.36

4 unique targets

Type:
Small molecule

AlogP:
-2.29

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4290845

Name:
5-Acetamido-9-(3-amino)benzamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

Type:
Small molecule

AlogP:
-2.05

Polar Surface Area:
191.44

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4290253

Name:
5-Hexanamido-9-acetamido-2,6-anhydro-3,5-dideoxy-Dglycero-D-galactonon-2-enShow More⌵

Mol. Formula:
C17H28N2O8

M.W.:
388.42

20 activity values

7 unique targets

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4289116

Name:
5-Acetamido-9-butyramido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-eShow More⌵

Mol. Formula:
C15H24N2O8

M.W.:
360.36