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ALA3335254 Name:
(E)-2-((benzo[d]thiazol-5-ylimino)methyl)-3,4-dibr
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Mol. Formula:
C16H12Br2N2O2S
M.W.:
456.16
Type:
Small molecule
AlogP:
5.68
Polar Surface Area:
54.71
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3335253 Name:
(E)-2-(((1H-benzo[d]imidazol-5-yl)imino)methyl)-3,
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Mol. Formula:
C16H13Br2N3O2
M.W.:
439.11
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
70.50
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3335252 Name:
(E)-2-(((1H-indol-5-yl)imino)methyl)-3,4-dibromo-6
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Mol. Formula:
C17H14Br2N2O2
M.W.:
438.12
Type:
Small molecule
AlogP:
5.55
Polar Surface Area:
57.61
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3335251 Name:
(E)-2-((benzo[d]thiazol-5-ylimino)methyl)-3,4-dibr
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Mol. Formula:
C15H10Br2N2O2S
M.W.:
442.13
Type:
Small molecule
AlogP:
5.29
Polar Surface Area:
54.71
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3335250 Name:
(E)-2-(((1H-benzo[d]imidazol-5-yl)imino)methyl)-3,
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Mol. Formula:
C15H11Br2N3O2
M.W.:
425.08
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
70.50
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3335249 Name:
(E)-2-(((1H-indol-5-yl)imino)methyl)-3,4-dibromo-6
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Mol. Formula:
C16H12Br2N2O2
M.W.:
424.09
Type:
Small molecule
AlogP:
5.16
Polar Surface Area:
57.61
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3335248 Name:
5-((2,3-dibromo-5-ethoxy-6-hydroxybenzyl)amino)-1H
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Mol. Formula:
C16H15Br2N3O3
M.W.:
457.12
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
90.14
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3335247 Name:
5-((2,3-dibromo-6-hydroxy-5-methoxybenzyl)amino)-1
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Mol. Formula:
C15H13Br2N3O3
M.W.:
443.10
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
90.14
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3335246 Name:
(E)-5-((2,3-dichloro-5-ethoxy-6-hydroxybenzylidene
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Mol. Formula:
C16H13Cl2N3O3
M.W.:
366.20
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3335245 Name:
(E)-5-((2,3-dibromo-5-ethoxy-6-hydroxybenzylidene)
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Mol. Formula:
C16H13Br2N3O3
M.W.:
455.11
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3335244 Name:
(E)-5-((2,3-dibromo-6-hydroxy-5-methoxybenzylidene
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Mol. Formula:
C15H11Br2N3O3
M.W.:
441.08
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3335243 Name:
(E)-5-((2,3,5-tribromo-6-hydroxybenzylidene)amino)
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Mol. Formula:
C14H8Br3N3O2
M.W.:
489.95
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
81.24
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3335242 Name:
(E)-5-((6-bromo-2-hydroxy-3-methoxybenzylidene)ami
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Mol. Formula:
C15H12BrN3O3
M.W.:
362.18
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3335241 Name:
(E)-5-((2-bromo-6-hydroxybenzylidene)amino)-1H-ben
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Mol. Formula:
C14H10BrN3O2
M.W.:
332.16
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
81.24
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3335240 Name:
(E)-5-((2-hydroxy-4-methoxybenzylidene)amino)-1H-b
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Mol. Formula:
C15H13N3O3
M.W.:
283.29
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3335239 Name:
(E)-5-((2,4-dihydroxybenzylidene)amino)-1H-benzo[d
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Mol. Formula:
C14H11N3O3
M.W.:
269.26
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
101.47
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3335238 Name:
(E)-5-((3,5-dibromo-2-hydroxybenzylidene)amino)-1H
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Mol. Formula:
C14H9Br2N3O2
M.W.:
411.05
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
81.24
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3335237 Name:
(E)-5-((5-chloro-3-ethoxy-2-hydroxybenzylidene)ami
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Mol. Formula:
C16H14ClN3O3
M.W.:
331.76
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3335236 Name:
(E)-5-((3-ethoxy-2-hydroxybenzylidene)amino)-1H-be
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Mol. Formula:
C16H15N3O3
M.W.:
297.31
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3335235 Name:
(E)-5-((5-bromo-3-ethoxy-2-hydroxybenzylidene)amin
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Mol. Formula:
C16H14BrN3O3
M.W.:
376.21
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
90.47
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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