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ALA4475610 Name:
1,4-dihydroxy-2-(hydroxy(4-(trifluoromethyl)phenyl
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Mol. Formula:
C22H13F3O5
M.W.:
414.33
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
94.83
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4474588 Name:
1,4-dihydroxy-2-(hydroxy(5-methylthiophen-2-yl)met
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Mol. Formula:
C20H14O5S
M.W.:
366.39
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4535770 Name:
2-((5-chlorothiophen-2-yl)(hydroxy)methyl)-1,4-dih
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Mol. Formula:
C19H11ClO5S
M.W.:
386.81
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4554457 Name:
1,4-dihydroxy-2-(hydroxy(thiophen-2-yl)methyl)anth
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Mol. Formula:
C19H12O5S
M.W.:
352.37
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4569853 Name:
2-((2,4-dichlorophenyl)(hydroxy)methyl)-1,4-dihydr
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Mol. Formula:
C21H12Cl2O5
M.W.:
415.23
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
94.83
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4567917 Name:
2-((3,4-dimethoxyphenyl)(hydroxy)methyl)-1,4-dihyd
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Mol. Formula:
C23H18O7
M.W.:
406.39
Type:
Unknown
AlogP:
2.97
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4567051 Name:
1,4-dihydroxy-2-(hydroxy(thiophen-3-yl)methyl)anth
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Mol. Formula:
C19H12O5S
M.W.:
352.37
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4586039 Name:
1,4-dihydroxy-2-(hydroxy(4-(methylthio)phenyl)meth
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Mol. Formula:
C22H16O5S
M.W.:
392.43
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5285408 Name:
2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)-N-(4
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Mol. Formula:
C22H17N7O3S2
M.W.:
491.56
Type:
---
AlogP:
3.20
Polar Surface Area:
131.24
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4465360 Name:
2-((4-bromothiophen-2-yl)(hydroxy)methyl)-1,4-dihy
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Mol. Formula:
C19H11BrO5S
M.W.:
431.26
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
94.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4464296 Name:
2-((4-ethoxyphenyl)(hydroxy)methyl)-1,4-dihydroxya
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Mol. Formula:
C23H18O6
M.W.:
390.39
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4471656 Name:
2-((bis(2-chloroethyl)amino)(4-(methylthio)phenyl)
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Mol. Formula:
C26H23Cl2NO4S
M.W.:
516.45
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
77.84
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4543919 Name:
4-((1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen
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Mol. Formula:
C22H13NO5
M.W.:
371.35
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
118.62
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4640633 Name:
(4-(((((14-Methyl-5-oxo-5,7,8,13,13b,14-hexahydroi
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Mol. Formula:
C27H24BN3O6
M.W.:
497.32
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4634313 Name:
(4-(((14-Methyl-5-oxo-5,7,8,13,13b,14-hexahydroind
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Mol. Formula:
C26H24BN3O4
M.W.:
453.31
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4593714 Name:
2-((bis(2-chloroethyl)amino)(4-(trifluoromethoxy)p
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Mol. Formula:
C26H20Cl2F3NO5
M.W.:
554.35
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
87.07
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5269118 Name:
2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)-N-(4
Show More⌵
Mol. Formula:
C20H15N7O3S3
M.W.:
497.59
Type:
---
AlogP:
3.27
Polar Surface Area:
131.24
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4451416 Name:
2-((bis(2-chloroethyl)amino)(4-(trifluoromethyl)ph
Show More⌵
Mol. Formula:
C26H20Cl2F3NO4
M.W.:
538.35
Type:
Unknown
AlogP:
5.76
Polar Surface Area:
77.84
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4441505 Name:
2-((3-bromo-4-methoxyphenyl)(hydroxy)methyl)-1,4-d
Show More⌵
Mol. Formula:
C22H15BrO6
M.W.:
455.26
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4440907 Name:
2-((bis(2-chloroethyl)amino)(thiophen-2-yl)methyl)
Show More⌵
Mol. Formula:
C23H19Cl2NO4S
M.W.:
476.38
Type:
Unknown
AlogP:
4.80
Polar Surface Area:
77.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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