Compounds

ALA4877004

Name:
Methyl 3-O-((3-carboxyphenyl)-1,2,3-triazol-4-ylmethyl)-beta-D-galactopyranShow More⌵

Mol. Formula:
C17H21N3O8

M.W.:
395.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.06

Polar Surface Area:
156.39

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4876936

Name:
Methyl 3-O-(benzo[d]oxazol-2-ylmethyl)-bete-D-galactopyranoside

Mol. Formula:
C15H19NO7

M.W.:
325.32

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.20

Polar Surface Area:
114.41

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4876385

Name:
Methyl 3-O-((5-carboxy)1H-benzo[d]imidazole-2-ylmethyl)-methoxy)-beta-D-galShow More⌵

Mol. Formula:
C16H20N2O8

M.W.:
368.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.77

Polar Surface Area:
154.36

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4874352

Name:
Methyl 3-O((3-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-beta-D-galactoShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.98

Polar Surface Area:
145.39

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4872829

Name:
3,4-Dichlorophenyl 3-o-((5-carboxy)1H-benzo[d]imidazole-2-ylmethyl)-1-thio-Show More⌵

Mol. Formula:
C21H20Cl2N2O7S

M.W.:
515.37

12 activity values

8 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
145.13

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4872722

Name:
Methyl 3-O-((6-carboxy)1-methyl-1H-benzo[d]imidazole-2-ylmethyl)-methoxy)-bShow More⌵

Mol. Formula:
C17H22N2O8

M.W.:
382.37

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
143.50

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4871558

Name:
Tolyl 3-O-((4-carboxyphenyl)-1,2,3-triazol-4-ylmethyl)-1-thio-beta-D-galactShow More⌵

Mol. Formula:
C23H25N3O7S

M.W.:
487.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
147.16

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4870935

Name:
Methyl 3-O-(1H-benzo[d]imidazole-2-ylmethyl)-beta-D-galactopyranoside

Mol. Formula:
C15H20N2O6

M.W.:
324.33

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.47

Polar Surface Area:
117.06

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4870644

Name:
Methyl 3-O-((5-carboxy)1-methyl-1H-benzo[d]imidazole-2-ylmethyl)-methoxy)-bShow More⌵

Mol. Formula:
C17H22N2O8

M.W.:
382.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.76

Polar Surface Area:
143.50

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4870586

Name:
Methyl 3-O((2-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-beta-D-galactoShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.98

Polar Surface Area:
145.39

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4869876

Name:
Methyl 3-O-((6-methoxycarbonyl)1-methyl-1H-benzo[d]imidazole-2-ylmethyl)-meShow More⌵

Mol. Formula:
C18H24N2O8

M.W.:
396.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.67

Polar Surface Area:
132.50

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4868386

Name:
Methyl 3-O-((2-carboxyphenyl)-1,2,3-triazol-4-ylmethyl)-beta-D-galactopyranShow More⌵

Mol. Formula:
C17H21N3O8

M.W.:
395.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.06

Polar Surface Area:
156.39

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4867783

Name:
Tolyl 3-O-((4-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-1-thio-beta-D-Show More⌵

Mol. Formula:
C24H27N3O7S

M.W.:
501.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
136.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4865708

Name:
Tolyl 3-O-((3-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-1-thio-beta-D-Show More⌵

Mol. Formula:
C24H27N3O7S

M.W.:
501.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
136.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4864732

Name:
Methyl 3-O((4-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-beta-D-galactoShow More⌵

Mol. Formula:
C18H23N3O8

M.W.:
409.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.98

Polar Surface Area:
145.39

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4864620

Name:
Tolyl 3-O-((2-methylcarboxyphenyl)-1,2,3-triazol-4-ylmethyl)-1-thio-beta-D-Show More⌵

Mol. Formula:
C24H27N3O7S

M.W.:
501.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
136.16

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4863345

Name:
Methyl 3-O-((5-methoxycarbonyl)1H-benzo[d]imidazole-2-ylmethyl)-methoxy)-beShow More⌵

Mol. Formula:
C17H22N2O8

M.W.:
382.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.68

Polar Surface Area:
143.36

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4857433

Name:
Methyl 3-O-(benzo[d]thiazol-2-ylmethyl)-Beta-D-galactopyranoside

Mol. Formula:
C15H19NO6S

M.W.:
341.39

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.27

Polar Surface Area:
101.27

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4855310

Name:
Tolyl 3-O-((3-carboxyphenyl)-1,2,3-triazol-4-ylmethyl)-1-thio-beta-D-galactShow More⌵

Mol. Formula:
C23H25N3O7S

M.W.:
487.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
147.16

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4855244

Name:
Methyl 3-O-(1-methyl-1H-benzo[d]imidazole-2-ylmethyl)-beta-D-galactopyranosShow More⌵

Mol. Formula:
C16H22N2O6

M.W.:
338.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-0.46

Polar Surface Area:
106.20

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS