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ALA5278061 Name:
Neomarchantin B
Mol. Formula:
C28H24O5
M.W.:
440.50
Type:
---
AlogP:
6.27
Polar Surface Area:
79.15
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2288844 Name:
(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)pr
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Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2288843 Name:
(E)-1-(5-butylpyrazin-2-yl)-3-(2-hydroxyphenyl)pro
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2288842 Name:
(E)-3-(2-hydroxyphenyl)-1-(5-isobutylpyrazin-2-yl)
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2288841 Name:
(E)-3-(2-hydroxyphenyl)-1-(5-isopropylpyrazin-2-yl
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Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2288839 Name:
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(5-propylpyraz
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Mol. Formula:
C17H18N2O3
M.W.:
298.34
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
72.31
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2288838 Name:
(E)-1-(5-butylpyrazin-2-yl)-3-(4-hydroxy-3-methoxy
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Mol. Formula:
C18H20N2O3
M.W.:
312.37
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
72.31
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2288837 Name:
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(5-isobutylpyr
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Mol. Formula:
C18H20N2O3
M.W.:
312.37
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
72.31
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2288836 Name:
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(5-isopropylpy
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Mol. Formula:
C17H18N2O3
M.W.:
298.34
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
72.31
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2288835 Name:
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(pyrazin-2-yl)
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Mol. Formula:
C14H12N2O3
M.W.:
256.26
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
72.31
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2288604 Name:
(E)-3-(4-(dimethylamino)phenyl)-1-(5-propylpyrazin
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Mol. Formula:
C18H21N3O
M.W.:
295.39
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2288603 Name:
(E)-1-(5-butylpyrazin-2-yl)-3-(4-(dimethylamino)ph
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Mol. Formula:
C19H23N3O
M.W.:
309.41
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2288602 Name:
(E)-3-(4-(dimethylamino)phenyl)-1-(5-isobutylpyraz
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Mol. Formula:
C19H23N3O
M.W.:
309.41
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2288601 Name:
(E)-3-(4-(dimethylamino)phenyl)-1-(5-isopropylpyra
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Mol. Formula:
C18H21N3O
M.W.:
295.39
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2288600 Name:
(E)-3-(4-(dimethylamino)phenyl)-1-(pyrazin-2-yl)pr
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Mol. Formula:
C15H15N3O
M.W.:
253.31
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2288599 Name:
(E)-3-(4-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)pr
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Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2288598 Name:
(E)-1-(5-butylpyrazin-2-yl)-3-(4-hydroxyphenyl)pro
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2288597 Name:
(E)-3-(4-hydroxyphenyl)-1-(5-isobutylpyrazin-2-yl)
Show More⌵
Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2288596 Name:
(E)-3-(4-hydroxyphenyl)-1-(5-isopropylpyrazin-2-yl
Show More⌵
Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2288595 Name:
(E)-3-(4-hydroxyphenyl)-1-(pyrazin-2-yl)prop-2-en-
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Mol. Formula:
C13H10N2O2
M.W.:
226.24
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
63.08
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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