Compounds

ALA5200452

Name:
4-methyl-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyShow More⌵

Mol. Formula:
C16H18O8

M.W.:
338.31

1 activity values

1 unique targets

Type:
---

AlogP:
-0.72

Polar Surface Area:
129.59

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5208331

Name:
3-ethoxy-4-[4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C18H21NO9

M.W.:
395.36

1 activity values

1 unique targets

Type:
---

AlogP:
-1.40

Polar Surface Area:
154.78

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5208058

Name:
2-[7-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahShow More⌵

Mol. Formula:
C29H29N3O8

M.W.:
547.56

2 activity values

2 unique targets

Type:
---

AlogP:
1.19

Polar Surface Area:
163.37

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5194565

Name:
7-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C28H27N3O8

M.W.:
533.54

1 activity values

1 unique targets

Type:
---

AlogP:
1.63

Polar Surface Area:
163.37

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4876354

Name:
5-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C19H25N3O8

M.W.:
423.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.45

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4876104

Name:
7-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C21H29N3O8

M.W.:
451.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.33

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4875319

Name:
8-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C22H31N3O8

M.W.:
465.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4874782

Name:
Ethyl 5-(3-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)pentanShow More⌵

Mol. Formula:
C21H29N3O8

M.W.:
451.48

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4874752

Name:
Methyl 4-(3-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)butanShow More⌵

Mol. Formula:
C19H25N3O8

M.W.:
423.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.75

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4874004

Name:
Ethyl 8-(3-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)octanoShow More⌵

Mol. Formula:
C24H35N3O8

M.W.:
493.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4871616

Name:
8-(4-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C22H31N3O8

M.W.:
465.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4871009

Name:
Ethyl 6-(4-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)hexanoShow More⌵

Mol. Formula:
C22H31N3O8

M.W.:
465.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4869236

Name:
Ethyl 4-(4-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)butanoShow More⌵

Mol. Formula:
C20H27N3O8

M.W.:
437.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.36

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4866868

Name:
5-(4-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C19H25N3O8

M.W.:
423.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.45

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4866323

Name:
6-(4-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C20H27N3O8

M.W.:
437.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.06

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4865920

Name:
6-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C20H27N3O8

M.W.:
437.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.06

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4862296

Name:
4-(4-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.84

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4860442

Name:
Ethyl 7-(4-(1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazol-4-yl)phenoxy)heptanShow More⌵

Mol. Formula:
C23H33N3O8

M.W.:
479.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.81

Polar Surface Area:
156.39

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4859663

Name:
4-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.84

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4858700

Name:
2-(3-(1-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pShow More⌵

Mol. Formula:
C16H19N3O8

M.W.:
381.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.62

Polar Surface Area:
167.39

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS