Compounds

ALA4792054

Name:
potassium (2S,5R,6R)-5-acetamido-2-methoxy-6-((1R,2R)-1,2,3-trihydroxypropyShow More⌵

Mol. Formula:
C12H18KNO8

M.W.:
343.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.41

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4779317

Name:
potassium (2S,5R,6R)-5-acetamido-2-ethoxy-6-((1R,2R)-1,2,3-trihydroxypropylShow More⌵

Mol. Formula:
C13H20KNO8

M.W.:
357.40

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.02

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4764169

Name:
potassium (2S,5R,6R)-5-acetamido-2-butoxy-6-((1R,2R)-1,2,3-trihydroxypropylShow More⌵

Mol. Formula:
C15H24KNO8

M.W.:
385.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.24

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4761516

Name:
potassium (2S,5R,6R)-5-acetamido-2-propoxy-6-((1R,2R)-1,2,3-trihydroxypropyShow More⌵

Mol. Formula:
C14H22KNO8

M.W.:
371.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.63

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4753409

Name:
(2R,5R,6R)-5-acetamido-2-(ethylthio)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6Show More⌵

Mol. Formula:
C13H21NO7S

M.W.:
335.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.31

Polar Surface Area:
136.32

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4751929

Name:
(2S,5R,6R)-5-acetamido-2-(ethylthio)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6Show More⌵

Mol. Formula:
C13H21NO7S

M.W.:
335.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.31

Polar Surface Area:
136.32

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4750824

Name:
(2R,5R,6R)-5-acetamido-2-isopropoxy-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-Show More⌵

Mol. Formula:
C14H23NO8

M.W.:
333.34

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.63

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4746115

Name:
potassium (2S,5R,6R)-5-acetamido-2-isopropoxy-6-((1R,2R)-1,2,3-trihydroxyprShow More⌵

Mol. Formula:
C14H22KNO8

M.W.:
371.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.63

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4745230

Name:
(2R,3R,4S)-4-hydroxy-3-(2,2,2-trifluoroacetamido)-2-((1R,2R)-1,2,3-trihydroShow More⌵

Mol. Formula:
C11H14F3NO8

M.W.:
345.23

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.52

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4744597

Name:
potassium (2R,5R,6R)-5-acetamido-2-methoxy-6-((1R,2R)-1,2,3-trihydroxypropyShow More⌵

Mol. Formula:
C12H18KNO8

M.W.:
343.37

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.41

Polar Surface Area:
145.55

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4743493

Name:
(2R,5R,6R)-5-acetamido-2-(octylthio)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6Show More⌵

Mol. Formula:
C19H33NO7S

M.W.:
419.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
136.32

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3588980

Name:
(2R,3R,4R,5R,6R)-2,3-difluoro-4-hydroxy-5-pent-4-ynamido-6-((1R,2R)-1,2,3-tShow More⌵

Mol. Formula:
C14H19F2NO8

M.W.:
367.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.55

Polar Surface Area:
156.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2325813

Name:
5-Acetamido-4-azido-2,6-anhydro-3,4,5-trideoxy-6-((2-phenylhydrazinyl)methyShow More⌵

Mol. Formula:
C15H18N6O4

M.W.:
346.35

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
148.45

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2325811

Name:
5-Acetamido-4-azido-2,6-anhydro-3,4,5-trideoxy-6-(((benzyloxy)amino)methyl)Show More⌵

Mol. Formula:
C16H19N5O5

M.W.:
361.36

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
145.65

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1773350

Name:
(4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenethyl-1H-1,2,3-triazol-1-ylShow More⌵

Mol. Formula:
C24H32N4O4

M.W.:
440.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
106.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1773349

Name:
(4R,5R)-4-acetamido-3-(4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl)-5-(pShow More⌵

Mol. Formula:
C19H30N4O5

M.W.:
394.47

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
126.57

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1773348

Name:
(3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7Show More⌵

Mol. Formula:
C34H46N4O6

M.W.:
606.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
146.80

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1773347

Name:
(3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenethyl-1H-1,2,3-triazol-1Show More⌵

Mol. Formula:
C24H32N4O4

M.W.:
440.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
106.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1290408

Name:
(2R,3R,4S)-4-hydroxy-3-(2-(4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl)aShow More⌵

Mol. Formula:
C16H24N4O9

M.W.:
416.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.57

Polar Surface Area:
207.49

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1290293

Name:
(2R,3R,4S)-4-hydroxy-3-(2-(4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl)acetamShow More⌵

Mol. Formula:
C16H24N4O9

M.W.:
416.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.87

Polar Surface Area:
207.49

HBA:
11

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS