Compounds

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
128.70

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3221804

Name:
(1R,4R,5R)-3-(1-(furan-2-ylmethyl)-1H-1,2,3-triazo
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Mol. Formula:
C14H15N3O6

M.W.:
321.29

Type:
Small molecule

AlogP:
-0.76

Polar Surface Area:
141.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3221803

Name:
(1R,4R,5R)-1,4,5-trihydroxy-3-(1-(pyridine-3-yl)-1
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Mol. Formula:
C14H14N4O5

M.W.:
318.29

Type:
Small molecule

AlogP:
-1.01

Polar Surface Area:
141.59

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3221802

Name:
(1R,4R,5R)-1,4,5-trihydroxy-3-(1-(2-hydroxyphenyl)
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Mol. Formula:
C15H15N3O6

M.W.:
333.30

Type:
Small molecule

AlogP:
-0.70

Polar Surface Area:
148.93

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3221801

Name:
3-(4-((3R,5R,6R)-3-carboxy-3,5,6-trihydroxycyclohe
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Mol. Formula:
C16H15N3O7

M.W.:
361.31

Type:
Small molecule

AlogP:
-0.71

Polar Surface Area:
166.00

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3221800

Name:
(1R,4R,5R)-1,4,5-trihydroxy-3-(1-(3-nitrophenyl)-1
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Mol. Formula:
C15H14N4O7

M.W.:
362.30

Type:
Small molecule

AlogP:
-0.50

Polar Surface Area:
171.84

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3221799

Name:
(1R,4R,5R)-3-(1-(4-fluorophenyl)-1H-1,2,3-triazol-
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Mol. Formula:
C15H14FN3O5

M.W.:
335.29

Type:
Small molecule

AlogP:
-0.27

Polar Surface Area:
128.70

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA152738

Name:
4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-e
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Mol. Formula:
C15H16O7

M.W.:
308.29

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
124.29

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA347210

Name:
(1R,4R,5R)-1,5-Dihydroxy-4-(4-hydroxymethyl-benzyl
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Mol. Formula:
C15H18O6

M.W.:
294.30

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
107.22

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA154048

Name:
(1R,4R,5R)-4-(4-Fluoro-benzyloxy)-1,5-dihydroxy-cy
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Mol. Formula:
C14H15FO5

M.W.:
282.27

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA154171

Name:
(1R,4R,5R)-4-(2-Fluoro-benzyloxy)-1,5-dihydroxy-cy
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Mol. Formula:
C14H15FO5

M.W.:
282.27

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA157011

Name:
(1R,4R,5R)-4-(4-Cyano-benzyloxy)-1,5-dihydroxy-cyc
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Mol. Formula:
C15H15NO5

M.W.:
289.29

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
110.78

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA153212

Name:
4-((1R,4R,6R)-4-Carboxy-4,6-dihydroxy-cyclohex-2-e
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Mol. Formula:
C15H16O7

M.W.:
308.29

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
124.29

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA345567

Name:
(1R,4R,5R)-1,5-Dihydroxy-4-(2-nitro-benzyloxy)-cyc
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Mol. Formula:
C14H15NO7

M.W.:
309.27

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
130.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA152151

Name:
(1R,4R,5R)-1,5-Dihydroxy-4-(4-nitro-benzyloxy)-cyc
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Mol. Formula:
C14H15NO7

M.W.:
309.27

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
130.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA356661

Name:
(1R,4R,5R)-4,5-Dihydroxy-1-(4-nitro-benzyloxy)-cyc
Show More⌵

Mol. Formula:
C14H15NO7

M.W.:
309.27

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
130.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA157279

Name:
(1R,4R,5R)-4,5-Dihydroxy-1-(4-hydroxymethyl-benzyl
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Mol. Formula:
C15H18O6

M.W.:
294.30

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
107.22

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA346315

Name:
(1R,4R,5R)-1-(2-Fluoro-benzyloxy)-4,5-dihydroxy-cy
Show More⌵

Mol. Formula:
C14H15FO5

M.W.:
282.27

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA152880

Name:
(1R,4R,5R)-1-Benzyloxy-4,5-dihydroxy-cyclohex-2-en
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Mol. Formula:
C14H16O5

M.W.:
264.28

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
86.99

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA153675

Name:
(1R,4R,5R)-4-(3-Fluoro-benzyloxy)-1,5-dihydroxy-cy
Show More⌵

Mol. Formula:
C14H15FO5

M.W.:
282.27