Compounds

Type:
Small molecule

AlogP:
0.65

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4175176

Name:
5-(Anthracen-2-yl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C22H21N3O5

M.W.:
407.43

Type:
Small molecule

AlogP:
1.29

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4172858

Name:
3-(beta-D-Glucopyranosyl)-5-(pyren-1-yl)-1,2,4-triazole

Mol. Formula:
C24H21N3O5

M.W.:
431.45

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4172670

Name:
5-[4'-Carboxy-(1,1'-biphenyl)-4-yl]-3-(beta-D-glucopyranosyl)-1,2,4-triazolShow More⌵

Mol. Formula:
C21H21N3O7

M.W.:
427.41

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
169.02

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4171734

Name:
5-(4-(N-(Dimethylaminomethylene)sulfamoyl)phenyl)-3-(beta-D-glucopyranosyl)Show More⌵

Mol. Formula:
C17H23N5O7S

M.W.:
441.47

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
181.46

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4169281

Name:
5-(9H-Fluoren-2-yl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C21H21N3O5

M.W.:
395.42

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4165855

Name:
5-(1,1'-Biphenyl-3-yl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C20H21N3O5

M.W.:
383.40

Type:
Small molecule

AlogP:
0.65

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4164542

Name:
5-(Naphthalen-1-yl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C18H19N3O5

M.W.:
357.37

Type:
Small molecule

AlogP:
0.14

Polar Surface Area:
131.72

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4161353

Name:
5-(6-Carboxynaphthalen-4-yl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C19H19N3O7

M.W.:
401.38

Type:
Small molecule

AlogP:
-0.16

Polar Surface Area:
169.02

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4161126

Name:
5-(4-Sulfamoylphenyl)-3-(beta-D-glucopyranosyl)-1,2,4-triazole

Mol. Formula:
C14H18N4O7S

M.W.:
386.39

Type:
Small molecule

AlogP:
-2.37

Polar Surface Area:
191.88

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4105675

Name:
1-(2'-Amino-2'-deoxy-beta-D-glucopyranosyl)-4-(2-naphthyl)-1,2,3-triazole

Mol. Formula:
C18H20N4O4

M.W.:
356.38

Type:
Small molecule

AlogP:
0.04

Polar Surface Area:
126.65

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4098082

Name:
2-(2'-Amino-2'-deoxy-beta-D-glucopyranosyl)-benzimidazole

Mol. Formula:
C13H17N3O4

M.W.:
279.30

Type:
Small molecule

AlogP:
-0.96

Polar Surface Area:
124.62

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4090718

Name:
(2S,3R,4S,5R)-2-(4-phenyl-1H-imidazol-2-yl)tetrahydro-2H-pyran-3,4,5-triol

Mol. Formula:
C14H16N2O4

M.W.:
276.29

Type:
Small molecule

AlogP:
0.23

Polar Surface Area:
98.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4090219

Name:
1-((2R,3R,4R,5S,6R)-3,5-dihydroxy-4,6-bis(hydroxymethyl)tetrahydro-2H-pyranShow More⌵

Mol. Formula:
C11H15FN2O7

M.W.:
306.25

Type:
Small molecule

AlogP:
-3.10

Polar Surface Area:
145.01

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4089805

Name:
(2S,3R,4S,5R)-2-(3-(naphthalen-2-yl)-1H-1,2,4-triazol-5-yl)tetrahydro-2H-pyShow More⌵

Mol. Formula:
C17H17N3O4

M.W.:
327.34

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
111.49

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4081944

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

Mol. Formula:
C10H13FN2O7

M.W.:
292.22

Type:
Small molecule

AlogP:
-3.35

Polar Surface Area:
145.01

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4079900

Name:
1-(2'-Amino-2'-deoxy-beta-D-glucopyranosyl)-4-phenyl-1,2,3-triazole

Mol. Formula:
C14H18N4O4

M.W.:
306.32

Type:
Small molecule

AlogP:
-1.12

Polar Surface Area:
126.65

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4075602

Name:
(2S,3R,4S,5R)-2-(4-(naphthalen-2-yl)-1H-imidazol-2-yl)tetrahydro-2H-pyran-3Show More⌵

Mol. Formula:
C18H18N2O4

M.W.:
326.35

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
98.60

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3970649

Name:
4-(4-(1H-Benzo[d]imidazol-2-yl)phenylimino)pentan-2-one

Mol. Formula:
C18H17N3O

M.W.:
291.35

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
58.11

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3968658

Name:
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(5-phenyl-1H-pyrrol-2-yl)tetrahydro-2HShow More⌵

Mol. Formula:
C16H19NO5

M.W.:
305.33