Compounds

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1823570

Name:
Sodium(1R,4S,5R)-1,4,5-Trihydroxy-2-(5-methylbenzo
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Mol. Formula:
C22H21NaO6S2

M.W.:
468.53

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1823569

Name:
Sodium(1R,4S,5R)-3-(Benzo[b]thiophen-2-yl)methoxy-
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Mol. Formula:
C21H19NaO6S2

M.W.:
454.50

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1823568

Name:
Sodium(1R,4S,5R)-2-Allyl-3-(benzo[b]thiophen-2-yl)
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Mol. Formula:
C19H19NaO6S

M.W.:
398.41

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1823567

Name:
sodium(1R,4S,5R)-1,4,5-trihydroxy-3-(thiophen-2-yl
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Mol. Formula:
C17H17NaO6S2

M.W.:
404.44

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1823566

Name:
sodium(1R,4S,5R)-1,4,5-trihydroxy-3-(naphthalen-2-
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Mol. Formula:
C29H25NaO6

M.W.:
492.50

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
107.22

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1823565

Name:
Sodium(1R,4S,5R)-3-(Benzo[b]thiophen-5-yl)methoxy-
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Mol. Formula:
C25H21NaO6S2

M.W.:
504.56

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1823564

Name:
sodium(1R,4S,5R)-3-((6-chlorobenzo[b]thiophen-2-yl
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Mol. Formula:
C25H19Cl2NaO6S2

M.W.:
573.45

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1823563

Name:
Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(5-methylbenzo
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Mol. Formula:
C27H25NaO6S2

M.W.:
532.62

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1823562

Name:
Sodium(1R,4S,5R)-3-(Benzo[b]thiophen-2-yl)methoxy-
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Mol. Formula:
C25H21NaO6S2

M.W.:
504.56

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
107.22

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1823561

Name:
Sodium(1R,4S,5R)-1,4-Trihydroxy-3-(naphth-2-yl)met
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Mol. Formula:
C18H17NaO6

M.W.:
352.32

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
107.22

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1823560

Name:
sodium(1R,4S,5R)-3-((6-chlorobenzo[b]thiophen-2-yl
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Mol. Formula:
C16H14ClNaO6S

M.W.:
392.79

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1823559

Name:
(1R,4R,5R)-1,4,5-trihydroxy-3-(1-phenyl-1H-1,2,3-t
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Mol. Formula:
C15H15N3O5

M.W.:
317.30

3 unique targets

Type:
Small molecule

AlogP:
-0.41

Polar Surface Area:
128.70

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1823558

Name:
(1R,4R,5R)-3-(3-(4-fluorophenoxy)prop-1-enyl)-1,4,
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Mol. Formula:
C16H17FO6

M.W.:
324.30

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
107.22

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1823557

Name:
(1R,4R,5R)-1,4,5-trihydroxy-3-(thiophen-2-yl)cyclo
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Mol. Formula:
C11H12O5S

M.W.:
256.28

Type:
Small molecule

AlogP:
0.07

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA362122

Name:
(1R,4R,5R)-3-(4-Fluoro-phenyl)-1,4,5-trihydroxy-cy
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Mol. Formula:
C13H13FO5

M.W.:
268.24

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA361695

Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-phenyl-cyclohex-2-en
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Mol. Formula:
C13H14O5

M.W.:
250.25

Type:
Small molecule

AlogP:
0.01

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA365959

Name:
(1R,4R,5R)-3-Furan-3-yl-1,4,5-trihydroxy-cyclohex-
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Mol. Formula:
C11H12O6

M.W.:
240.21

Type:
Small molecule

AlogP:
-0.40

Polar Surface Area:
111.13

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA425726

Name:
(1R,4R,5R)-1,4,5-Trihydroxy-3-pyridin-3-yl-cyclohe
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Mol. Formula:
C12H13NO5

M.W.:
251.24

Type:
Small molecule

AlogP:
-0.59

Polar Surface Area:
110.88

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA190424

Name:
3-((3R,5R,6R)-3-Carboxy-3,5,6-trihydroxy-cyclohex-
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Mol. Formula:
C14H14O7

M.W.:
294.26