Compounds

ALA5271999

Name:
(2R,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6R)-5-((dihydroxy(oxo)-l6-sulfaneyl)oxy)-Show More⌵

Mol. Formula:
C45H90Na10O46S10

M.W.:
1917.74

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271688

Name:
2-(3-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2-yl)-4-(propylamino)phenyShow More⌵

Mol. Formula:
C32H23N3O7

M.W.:
561.55

Type:
---

AlogP:
6.21

Polar Surface Area:
131.20

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5270472

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

Mol. Formula:
C37H52O13

M.W.:
704.81

Type:
---

AlogP:
5.32

Polar Surface Area:
209.51

HBA:
12

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5270267

Name:
(2S,3S,4R,5R,6S)-5-amino-6-(4-carboxy-3-pentadecylphenoxy)-3,4-dihydroxytetShow More⌵

Mol. Formula:
C28H45NO8

M.W.:
523.67

Type:
---

AlogP:
4.26

Polar Surface Area:
159.54

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5269532

Name:
1-(3S,3'R,4S,4'R,5R,5'S,6R,6'S)-5-(((2R,3R,4S,5R,6R)-3,4-bis(sulfooxy)-6-((Show More⌵

Mol. Formula:
C36H62O90S20

M.W.:
2576.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269073

Name:
2-(5-(6-(3,5-difluorophenyl)benzo[d]oxazol-2-yl)-2-methoxyphenyl)-1,3-dioxoShow More⌵

Mol. Formula:
C29H16F2N2O6

M.W.:
526.45

Type:
---

AlogP:
5.95

Polar Surface Area:
109.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5269056

Name:
(2R,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6R)-5-((dihydroxy(oxo)-l6-sulfaneyl)oxy)-Show More⌵

Mol. Formula:
C18H44Na10O46S10

M.W.:
1547.07

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268973

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

Mol. Formula:
C24H28Na14O63S14

M.W.:
2095.22

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268939

Name:
(2R,3S,4S,5R,6S)-2-(((2S,3R,4S,5S,6R)-6-(((2R,3R,4S,5S,6R)-6-(((2R,5S,8R,9SShow More⌵

Mol. Formula:
C45H68Na10O47S10

M.W.:
1911.56

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268596

Name:
8,8'-((((3,3'-(carbonylbis(azanediyl))bis(benzoyl))bis(azanediyl))bis(3-ethShow More⌵

Mol. Formula:
C51H50N6Na6O21S6

M.W.:
1413.32

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268401

Name:
8,8'-((((3,3'-(carbonylbis(azanediyl))bis(benzoyl))bis(azanediyl))bis(3-metShow More⌵

Mol. Formula:
C49H46N6Na6O21S6

M.W.:
1385.27

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282692

Name:
Pixatimod

Mol. Formula:
C51H103Na13O60S13

M.W.:
2392.07

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281679

Name:
2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-propoxyphenyl)-1,3-dioxoisoiShow More⌵

Mol. Formula:
C31H21ClN2O6

M.W.:
552.97

Type:
---

AlogP:
7.10

Polar Surface Area:
109.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5281456

Name:
(2S,3S,4S,5R,6S)-6-(4-carboxy-3-pentadecylphenoxy)-3,4,5-trihydroxytetrahydShow More⌵

Mol. Formula:
C28H44O9

M.W.:
524.65

Type:
---

AlogP:
4.29

Polar Surface Area:
153.75

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5280906

Name:
(5S,6R,7S,8S)-6,7,8-trihydroxy-2-(2-(trifluoromethyl)phenethyl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C17H17F3N2O5

M.W.:
386.33

Type:
---

AlogP:
1.08

Polar Surface Area:
115.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280887

Name:
2-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1-oxa-3-azaspiro[5.5]undecane

Mol. Formula:
C22H25F2NO2

M.W.:
373.44

Type:
---

AlogP:
5.08

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280877

Name:
2-(5-(6-(4-fluorophenyl)benzo[d]oxazol-2-yl)-2-methoxyphenyl)-1,3-dioxoisoiShow More⌵

Mol. Formula:
C29H17FN2O6

M.W.:
508.46

Type:
---

AlogP:
5.81

Polar Surface Area:
109.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5280810

Name:
(5S,6R,7S,8S)-6,7,8-trihydroxy-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazoShow More⌵

Mol. Formula:
C17H20N2O5

M.W.:
332.36

Type:
---

AlogP:
0.45

Polar Surface Area:
115.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5279990

Name:
(2S,3S,4S,5R,6S)-6-(3-((4-carboxy-3-hydroxy-5-methylphenoxy)carbonyl)-2-hydShow More⌵

Mol. Formula:
C36H50O13

M.W.:
690.78

Type:
---

AlogP:
5.23

Polar Surface Area:
220.51

HBA:
11

HBD:
7

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5279972

Name:
(2S,3S,4S,5R,6R)-6-{3-[(4-carboxy-3-hydroxy-5-methylphenoxy)carbonyl]-4-hydShow More⌵

Mol. Formula:
C36H50O13

M.W.:
690.78

Type:
---

AlogP:
5.23

Polar Surface Area:
220.51

HBA:
11

HBD:
7

#RO5 Violations:
4

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS