Compounds

ALA5286960

Name:
(R)-5-(hydroxymethyl)-4-isopropoxy-3-palmitoylfura
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Mol. Formula:
C24H42O5

M.W.:
410.60

Type:
---

AlogP:
5.63

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5286425

Name:
(2R,3S,4S,5R,6R)-5-(((2R,3S,4S,5R,6S)-5-(((2R,3S,4
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Mol. Formula:
C18H21Na11O50S11

M.W.:
1642.94

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5285151

Name:
2-(2-{4-[(2E)-3-(4-bromophenyl)prop-2-enamido]-2-f
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Mol. Formula:
C24H16BrFN2O4

M.W.:
495.30

Type:
---

AlogP:
5.68

Polar Surface Area:
92.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5284745

Name:
(5S,6R,7S,8S)-6,7,8-trihydroxy-2-phenethyl-5,6,7,8
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Mol. Formula:
C16H18N2O5

M.W.:
318.33

Type:
---

AlogP:
0.06

Polar Surface Area:
115.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5283021

Name:
(2S,3S,4R,5R,6R)-5-amino-6-(4-(4-carboxy-3-pentade
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Mol. Formula:
C30H46N4O7

M.W.:
574.72

Type:
---

AlogP:
4.31

Polar Surface Area:
181.02

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5281679

Name:
2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-pro
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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)
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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-(trifluorometh
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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
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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-met
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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)-
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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-meth
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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-meth
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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-te
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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,4
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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-
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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-pro
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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

ALA5291042

Name:
Pixatimod

Mol. Formula:
C51H75Na13O60S13

M.W.:
2363.84

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290753

Name:
(2S,3S,4S,5R,6S)-6-(4-carboxy-3-hydroxy-5-pentadec
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Mol. Formula:
C28H44O10

M.W.:
540.65

Type:
---

AlogP:
4.00

Polar Surface Area:
173.98

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5288522

Name:
8,8'-((((3,3'-(carbonylbis(azanediyl))bis(benzoyl)
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Mol. Formula:
C55H58N6Na6O21S6

M.W.:
1469.43

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS