Compounds

ALA5267246

Name:
decasodium [(2R,3R,4S,5R,6R)-6-{[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-diShow More⌵

Mol. Formula:
C45H68Na10O46S10

M.W.:
1895.56

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5267191

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

ALA5266899

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

Mol. Formula:
C22H26FNO2

M.W.:
355.45

Type:
---

AlogP:
4.94

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5266599

Name:
N-(4-((4-(1H-benzo[d]imidazol-2-yl)phenyl)amino)phenyl)-3-bromo-4-methoxybeShow More⌵

Mol. Formula:
C27H21BrN4O2

M.W.:
513.40

Type:
---

AlogP:
7.00

Polar Surface Area:
79.04

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5266136

Name:
(2R,3S,4S,5R,6R)-5-(((2R,3S,4S,5R,6S)-5-(((2R,3S,4S,5R,6S)-3,4-bis(sulfonatShow 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

ALA5265781

Name:
N-(4-((5-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)amino)phenyl)-3-bromo-4-metShow More⌵

Mol. Formula:
C26H20BrN5O2

M.W.:
514.38

Type:
---

AlogP:
6.39

Polar Surface Area:
91.93

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

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

ALA5279462

Name:
(5S,6R,7S,8S)-2-benzyl-6,7,8-trihydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyrShow More⌵

Mol. Formula:
C15H16N2O5

M.W.:
304.30

Type:
---

AlogP:
-0.13

Polar Surface Area:
115.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5279386

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

Mol. Formula:
C51H75Na13O61S13

M.W.:
2379.84

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279103

Name:
hexasodium 8-{4-tert-butyl-3-[3-({[3-({2-propyl-5-[(4,6,8-trisulfonatonaphtShow More⌵

Mol. Formula:
C56H44N6Na6O23S6

M.W.:
1499.33

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5277782

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

Mol. Formula:
C31H21FN2O6

M.W.:
536.52

Type:
---

AlogP:
6.59

Polar Surface Area:
109.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5277725

Name:
(2S,3S,4R,5R,6R)-6-(2-(2-(4-((3-carboxy-N-(5-((3aR,4S,7R,7aS)-1,3-dioxo-1,3Show More⌵

Mol. Formula:
C36H52N6O24S2

M.W.:
1016.96

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS