Compounds

Type:
Small molecule

AlogP:
-2.04

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4291908

Name:
5-Hexanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C15H25NO8

M.W.:
347.36

17 activity values

Type:
Small molecule

AlogP:
-1.51

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4291733

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

Mol. Formula:
C13H19NO8

M.W.:
317.29

Type:
Small molecule

AlogP:
-2.68

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4290966

Name:
5-Benzamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C16H19NO8

M.W.:
353.33

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4289583

Name:
5-Heptanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C16H27NO8

M.W.:
361.39

Type:
Small molecule

AlogP:
-1.12

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4288490

Name:
5-Butyramido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C13H21NO8

M.W.:
319.31

Type:
Small molecule

AlogP:
-2.29

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4284515

Name:
5-(4-Methylpentanamido)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enShow More⌵

Mol. Formula:
C15H25NO8

M.W.:
347.36

Type:
Small molecule

AlogP:
-1.65

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4281290

Name:
5-Pentanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C14H23NO8

M.W.:
333.34

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
-1.90

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4281100

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

Mol. Formula:
C14H21NO8

M.W.:
331.32

Type:
Small molecule

AlogP:
-2.29

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4277834

Name:
5-Propionamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galactonon-2-enonic Acid

Mol. Formula:
C12H19NO8

M.W.:
305.28

Type:
Small molecule

AlogP:
-2.68

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4100761

Name:
5-Acetamido-9-(4-carboxyphenyl)-2,6-anhydro-4-(3-(2-carboxyethyl)ureido)-3,Show More⌵

Mol. Formula:
C24H28N6O11

M.W.:
576.52

Type:
Small molecule

AlogP:
-1.62

Polar Surface Area:
262.53

HBA:
11

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4096864

Name:
5-Acetamido-9-(4-fluorophenyl)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-Show More⌵

Mol. Formula:
C19H21FN4O7

M.W.:
436.40

Type:
Small molecule

AlogP:
-0.96

Polar Surface Area:
167.03

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4093209

Name:
5-Acetamido-2,6-anhydro-4-cyclopropanecarboxamido-3,4,5-trideoxy-D-glycero-Show More⌵

Mol. Formula:
C15H22N2O8

M.W.:
358.35

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
-2.53

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4089157

Name:
5-Acetamido-9-(4-methylphenyl)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-Show More⌵

Mol. Formula:
C20H24N4O7

M.W.:
432.43

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
167.03

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4084911

Name:
5-Acetamido-9-(4-amidophenyl)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-nShow More⌵

Mol. Formula:
C19H23N5O7

M.W.:
433.42

Type:
Small molecule

AlogP:
-1.52

Polar Surface Area:
193.05

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4084317

Name:
5-Acetamido-2,6-anhydro-4-propionamido-3,4,5-trideoxy-D-glycero-D-galacto-nShow More⌵

Mol. Formula:
C14H22N2O8

M.W.:
346.34

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
-2.53

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4081811

Name:
5-Acetamido-9-(4-(methoxycarbonyl)phenyl)-2,6-anhydro-4-azido-3,4,5-trideoxShow More⌵

Mol. Formula:
C20H21N7O8

M.W.:
487.43

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
232.86

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4080360

Name:
5-Acetamido-9-(4-(dimethylamino)phenyl)-2,6-anhydro-3,5-dideoxy-D-glycero-DShow More⌵

Mol. Formula:
C21H27N5O7

M.W.:
461.48

Type:
Small molecule

AlogP:
-1.03

Polar Surface Area:
170.27

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4076483

Name:
5-Acetamido-9-pentanamido-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2Show More⌵

Mol. Formula:
C16H26N2O8

M.W.:
374.39

26 activity values

7 unique targets

Type:
Small molecule

AlogP:
-1.75

Polar Surface Area:
165.42

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4076383

Name:
5-Acetamido-9-(4-acetamidophenyl)-2,6-anhydro-3,5-dideoxy-Dglycero-D-galactShow More⌵

Mol. Formula:
C21H25N5O8

M.W.:
475.46