Compounds

ALA3234202

Name:
Apratoxin S9

Mol. Formula:
C44H69N5O8S

M.W.:
828.13

20 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
158.15

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3234201

Name:
Apratoxin S8

Mol. Formula:
C45H71N5O8S

M.W.:
842.16

25 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
158.15

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3234200

Name:
Apratoxin S7

Mol. Formula:
C43H67N5O8S

M.W.:
814.10

20 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
158.15

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

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

ALA2335722

Name:
(2S)-4',5,7-trihydroxyflavan-(4beta->8)-afzelechin

Mol. Formula:
C30H26O9

M.W.:
530.53

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
160.07

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2029015

Name:
3-(5-Dimethylaminonaphthalene-1-sulfonamido)propyl 2,3,4,6-Tetra-O-sulfo-alShow More⌵

Mol. Formula:
C45H54N2Na16O76S17

M.W.:
2751.84

7 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2022564

Name:
Apratoxin S4

Mol. Formula:
C44H69N5O8S

M.W.:
828.13

45 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
158.15

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1627122

Name:
Muparfostat

Mol. Formula:
C30H35Na18O77PS16

M.W.:
2585.40

11 activity values

7 unique targets

Type:
Oligosaccharide

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604570

Name:
12-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Tetra-O-sulfo-alphShow More⌵

Mol. Formula:
C54H67N3Na16O74S16

M.W.:
2822.99

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA590013

Name:
12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Tetra-O-sulfor-D-mannopyranShow More⌵

Mol. Formula:
C50H65N3Na16O74S16

M.W.:
2772.93

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604569

Name:
3-(4-Phenyl[1,2,3]triazol-1-yl)propyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyShow More⌵

Mol. Formula:
C35H40N3Na13O60S13

M.W.:
2178.41

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604568

Name:
3-(4-Phenyl[1,2,3]triazol-1-yl)propyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyShow More⌵

Mol. Formula:
C41H47N3Na16O74S16

M.W.:
2646.69

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA590012

Name:
8-(5-Dimethylaminonaphthalene-1-sulfonamido)octyl 2,3,4,6-Tetra-O-sulfo-alpShow More⌵

Mol. Formula:
C44H57N2Na13O62S14

M.W.:
2353.70

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA602307

Name:
8-(4-Naphthalen-1-yl[1,2,3]triazol-1-yl)octyl 2,3,4,6-Tetra-O-sulfo-alpha-DShow More⌵

Mol. Formula:
C44H52N3Na13O60S13

M.W.:
2298.60

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA590011

Name:
2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alphaShow More⌵

Mol. Formula:
C50H59N3Na16O74S16

M.W.:
2766.88

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA602114

Name:
8-(4-Phenyl[1,2,3]triazol-1-yl)octyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyrShow More⌵

Mol. Formula:
C40H50N3Na13O60S13

M.W.:
2248.54

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604368

Name:
8-(4-Phenyl[1,2,3]triazol-1-yl)octyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyrShow More⌵

Mol. Formula:
C46H57N3Na16O74S16

M.W.:
2716.82

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604367

Name:
Dodecyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulShow More⌵

Mol. Formula:
C42H60Na16O74S16

M.W.:
2629.78

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA590010

Name:
4-Butylbenzyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-triShow More⌵

Mol. Formula:
C35H43Na13O60S13

M.W.:
2139.41

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS