Compounds

ALA4213376

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

Mol. Formula:
C35H50N2O36S4

M.W.:
1203.03

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4209610

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

Mol. Formula:
C96H99F17N2O42S4

M.W.:
2404.05

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4202957

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

Mol. Formula:
C82H82F6N2O40S4

M.W.:
1977.79

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3819473

Name:
(20S)-21-(Bis(trifluoromethyl)hydroxymethyl)pregn-5-en-3beta,20-diol

Mol. Formula:
C24H34F6O3

M.W.:
484.52

24 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3817972

Name:
(20R)-21-(Bis(trifluoromethyl)hydroxymethyl)pregn-5-en-3beta,20-diol

Mol. Formula:
C24H34F6O3

M.W.:
484.52

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3819333

Name:
4,4,4-trifluoro-1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,Show More⌵

Mol. Formula:
C24H34F6O3

M.W.:
484.52

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3559508

Name:
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4S,5R,6R)-2-carboxy-6-{[(2Show More⌵

Mol. Formula:
C48H74N4O40S6

M.W.:
1539.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3559507

Name:
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4S,5R,6R)-2-carboxy-6-{[(2Show More⌵

Mol. Formula:
C48H74N4O40S6

M.W.:
1539.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3559506

Name:
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4R,5R,6R)-2-{[(2S,3S,4S,5R,6R)-2-carboxy-6-{[(2Show More⌵

Mol. Formula:
C48H74N4O37S5

M.W.:
1459.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3409457

Name:
N-{3-{[(beta-D-glucopyranosyl)uronicacid)-(1->3)-(2-acetamido-2-deoxy-4,6-dShow More⌵

Mol. Formula:
C48H70N4Na4O40S6

M.W.:
1627.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3409455

Name:
N-{3-{[(beta-D-glucopyranosyl)uronicacid]-(1->3)-(2-acetamido-2-deoxy-4,6-dShow More⌵

Mol. Formula:
C48H71N4Na3O37S5

M.W.:
1525.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3409454

Name:
N-{3-{[(beta-D-glucopyranosyl)uronic acid]-(1->3)-(2-acetamido-2-deoxy-4,6-Show More⌵

Mol. Formula:
C48H71N4Na3O37S5

M.W.:
1525.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3409453

Name:
N-{3-{[(2-O-Sulfo-beta-D-glucopyranosyl)uronic acid]-(1->3)-(2-acetamido-2-Show More⌵

Mol. Formula:
C48H69N4Na5O43S7

M.W.:
1729.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3409451

Name:
N-{3-{[(Beta-D-Glucopyranosyl)uronic acid]-(1->3)-(2-acetamido-2-deoxy-6-O-Show More⌵

Mol. Formula:
C48H71N4Na3O37S5

M.W.:
1525.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397498

Name:
N-[3-[(2,3-Di-O-sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-Show More⌵

Mol. Formula:
C34H48N3Na5O29S6

M.W.:
1270.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397497

Name:
N-[3-[(2,3-Di-O-sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-Show More⌵

Mol. Formula:
C34H49N3Na4O26S5

M.W.:
1168.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397496

Name:
N-[3-[(2,3-Di-O-sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-Show More⌵

Mol. Formula:
C34H49N3Na4O26S5

M.W.:
1168.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397495

Name:
N-[3-[(3-O-Sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-2-deoShow More⌵

Mol. Formula:
C34H49N3Na4O26S5

M.W.:
1168.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397494

Name:
N-[3-[(2-O-Sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-2-deoShow More⌵

Mol. Formula:
C34H49N3Na4O26S5

M.W.:
1168.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3397493

Name:
N-[3-[(2,3-di-O-Sulfo-beta-D-glucopyranosyluronicacid)-(1->3)-(2-acetamido-Show More⌵

Mol. Formula:
C34H50N3Na3O23S4

M.W.:
1066.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS