Compounds

ALA3288260

Name:
Pentyl-O-[(2-O-sulfonate-alpha-L-idopyranosyluronate)-1->4)-O-(2-amino-N-acShow More⌵

Mol. Formula:
C45H64N3Na9O51S6

M.W.:
1862.29

24 activity values

22 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3288259

Name:
5-Aminopentyl-O-(2-O-Sulfo-alpha-L-idopyranosyluronic Acid)-(1->4)-O-(2-DeoShow More⌵

Mol. Formula:
C41H61N4Na9O49S6

M.W.:
1793.23

25 activity values

22 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3288258

Name:
sodium(2R,3S,4S,5R,6R)-6-((2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-(pentyloShow More⌵

Mol. Formula:
C47H66N3Na9O52S6

M.W.:
1904.33

25 activity values

22 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3219627

Name:
Sulfoquinovosylglycerol

Mol. Formula:
C9H17NaO10S

M.W.:
340.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.95

Polar Surface Area:
173.98

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3219626

Name:
sodium((2S,3S,4S,5R,6S)-6-(3-(decanoyloxy)-2-hydroxypropoxy)-3,4,5-trihydroShow More⌵

Mol. Formula:
C19H35NaO11S

M.W.:
494.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.26

Polar Surface Area:
180.05

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3219625

Name:
sodium((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-(stearoyloxy)propoxShow More⌵

Mol. Formula:
C27H51NaO11S

M.W.:
606.75

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
180.05

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3219624

Name:
sodium((2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxy-3-(stearoyloxy)propoxShow More⌵

Mol. Formula:
C27H51NaO11S

M.W.:
606.75

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
180.05

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3219623

Name:
sodium((2S,3S,4S,5R,6S)-6-(2,3-bis(stearoyloxy)propoxy)-3,4,5-trihydroxytetShow More⌵

Mol. Formula:
C45H85NaO12S

M.W.:
873.22

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.68

Polar Surface Area:
186.12

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
40

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3219622

Name:
sodium((2S,3S,4S,5R,6R)-6-(2,3-bis(stearoyloxy)propoxy)-3,4,5-trihydroxytetShow More⌵

Mol. Formula:
C45H85NaO12S

M.W.:
873.22

33 activity values

22 unique targets

Type:
Small molecule

AlogP:
9.68

Polar Surface Area:
186.12

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
40

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA2087902

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

Mol. Formula:
C20H27N2Na3O16S3

M.W.:
716.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.48

Polar Surface Area:
258.67

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS