Compounds

Type:
Small molecule

AlogP:
-6.95

Polar Surface Area:
372.31

HBA:
21

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA1222112

Name:
N,N'-(2S,2'S,3R,3'R,4R,4'R,5S,5'S,6R,6'R)-2,2'-((2R,3S,4S,5S,6R)-2-((2R,3R,Show More⌵

Mol. Formula:
C82H136N8O56

M.W.:
2129.99

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1222111

Name:
N,N'-(2S,2'R,3R,3'R,4R,4'R,5S,5'S,6R,6'R)-2,2'-((2R,3S,4R,5R,6R)-5-acetamidShow More⌵

Mol. Formula:
C32H54N4O21

M.W.:
830.79

11 activity values

Type:
Small molecule

AlogP:
-9.17

Polar Surface Area:
383.31

HBA:
21

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA1222110

Name:
N-((2S,3R,4R,5S,6R)-2-((2R,3S,4R,5R,6R)-5-acetamido-2-(((2R,3R,4R,5S,6R)-3-Show More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222109

Name:
N-((2R,3R,4R,5S,6R)-4-((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222108

Name:
N-((2R,3R,4R,5S,6R)-2-(((2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxytetrahShow More⌵

Mol. Formula:
C16H28N2O11

M.W.:
424.40

Type:
Small molecule

AlogP:
-5.11

Polar Surface Area:
207.27

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1222107

Name:
N,N'-(2S,2'R,3R,3'R,4R,4'R,5R,5'R,6R,6'R)-2,2'-((2R,3R,4R,5R,6R)-5-acetamidShow More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222106

Name:
N,N'-(2S,2'R,3R,3'R,4R,4'R,5S,5'S,6R,6'R)-2,2'-((2R,3S,4R,5R,6R)-5-acetamidShow More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222105

Name:
N-((2S,3R,4R,5R,6R)-5-((2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222104

Name:
N-((2R,3R,4R,5R,6R)-5-((2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C16H28N2O11

M.W.:
424.40

Type:
Small molecule

AlogP:
-5.11

Polar Surface Area:
207.27

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1222103

Name:
N-((2R,3R,4R,5R,6R)-2-((2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C16H28N2O11

M.W.:
424.40

Type:
Small molecule

AlogP:
-5.11

Polar Surface Area:
207.27

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1222017

Name:
N-((2S,3R,4R,5S,6R)-5-((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C24H41N3O16

M.W.:
627.60

Type:
Small molecule

AlogP:
-7.14

Polar Surface Area:
295.29

HBA:
16

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1222016

Name:
N-((2R,3R,4R,5S,6R)-2-((2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxShow More⌵

Mol. Formula:
C16H28N2O11

M.W.:
424.40

Type:
Small molecule

AlogP:
-5.11

Polar Surface Area:
207.27

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1210905

Name:
N-((2R,3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3Show More⌵

Mol. Formula:
C8H15NO6

M.W.:
221.21

Type:
Small molecule

AlogP:
-3.08

Polar Surface Area:
119.25

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1210904

Name:
N-((2R,3S,4R,5S,6R)-2-((2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidShow More⌵

Mol. Formula:
C14H27ClN2O9

M.W.:
402.83

Type:
Small molecule

AlogP:
-5.00

Polar Surface Area:
180.97

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1210903

Name:
N-((2R,3S,4R,5R,6R)-2-((2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidShow More⌵

Mol. Formula:
C14H27ClN2O9

M.W.:
402.83