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ALA203909 Name:
5-acetyl-4,7-benzyloxy-6-hydroxybenzofuran
Mol. Formula:
C24H20O5
M.W.:
388.42
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA205069 Name:
5-acetyl-4,7-diethoxy-6-hydroxybenzofuran
Cas Number:
88349-53-5
Mol. Formula:
C14H16O5
M.W.:
264.28
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA204437 Name:
3-(4-ethoxy-6-hydroxy-7-methoxybenzofuran-5-yl)-1-
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Mol. Formula:
C20H18O6
M.W.:
354.36
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
89.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA203541 Name:
1-(7-(4-(trifluoromethoxy)benzyloxy)-6-hydroxy-4-m
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Mol. Formula:
C19H15F3O6
M.W.:
396.32
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
78.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA203540 Name:
4-((5-acetyl-6-hydroxy-4-methoxybenzofuran-7-yloxy
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Mol. Formula:
C19H16O7
M.W.:
356.33
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
106.20
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA203647 Name:
1-(7-(3-nitrobenzyloxy)-6-hydroxy-4-methoxybenzofu
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Mol. Formula:
C18H15NO7
M.W.:
357.32
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
112.04
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA203646 Name:
3-((5-acetyl-6-hydroxy-4-methoxybenzofuran-7-yloxy
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Mol. Formula:
C19H16O7
M.W.:
356.33
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
106.20
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA383465 Name:
1-[6-Hydroxy-4-methoxy-7-(3-methyl-benzyloxy)-benz
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Mol. Formula:
C19H18O5
M.W.:
326.35
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA203852 Name:
1-(7-(3-chlorobenzyloxy)-6-hydroxy-4-methoxybenzof
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Mol. Formula:
C18H15ClO5
M.W.:
346.77
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA204492 Name:
1-[4-(1,1'-biphenyl-4-ylmethoxy)-6-hydroxy-7-metho
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Mol. Formula:
C24H20O5
M.W.:
388.42
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA381476 Name:
1-(4-(4-tert-butylbenzyloxy)-6-hydroxy-7-methoxybe
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Mol. Formula:
C22H24O5
M.W.:
368.43
Type:
Small molecule
AlogP:
5.23
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA204088 Name:
1-(7-(3-fluorobenzyloxy)-6-hydroxy-4-methoxybenzof
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Mol. Formula:
C18H15FO5
M.W.:
330.31
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA380826 Name:
1-[7-(Biphenyl-2-ylmethoxy)-6-hydroxy-4-methoxy-be
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Mol. Formula:
C24H20O5
M.W.:
388.42
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA204695 Name:
1-(4-(4-isopropylbenzyloxy)-6-hydroxy-7-methoxyben
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Mol. Formula:
C21H22O5
M.W.:
354.40
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA381841 Name:
1-(4-(4-(trifluoromethyl)benzyloxy)-6-hydroxy-7-me
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Mol. Formula:
C19H15F3O5
M.W.:
380.32
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA204803 Name:
1-{6-hydroxy-7-methoxy-4-[(2-methylbenzyl)oxy]-1-b
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Mol. Formula:
C19H18O5
M.W.:
326.35
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA379468 Name:
1-(4-(2-chlorobenzyloxy)-6-hydroxy-7-methoxybenzof
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Mol. Formula:
C18H15ClO5
M.W.:
346.77
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA204256 Name:
1-(4-(2-fluorobenzyloxy)-6-hydroxy-7-methoxybenzof
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Mol. Formula:
C18H15FO5
M.W.:
330.31
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA204255 Name:
1-(6-hydroxy-7-methoxy-4-(naphthalen-2-ylmethoxy)b
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Mol. Formula:
C22H18O5
M.W.:
362.38
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA203798 Name:
1-(4-(benzyloxy)-6-hydroxy-7-methoxybenzofuran-5-y
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Cas Number:
119104-31-3
Mol. Formula:
C18H16O5
M.W.:
312.32
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
68.90
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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