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ALA3728214 Name:
N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihydroxy-N-((
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Mol. Formula:
C25H24N4O4
M.W.:
444.49
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
98.90
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3733242 Name:
N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihydroxy-N-((
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Mol. Formula:
C21H22N4O4
M.W.:
394.43
Type:
Small molecule
AlogP:
2.38
Polar Surface Area:
98.90
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3729177 Name:
N-(cyclopentylmethyl)-N-(4-(dimethylcarbamoyl)phen
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Mol. Formula:
C22H26N2O4
M.W.:
382.46
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
81.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3730058 Name:
5-chloro-2,4-dihydroxy-N-(4-((4-methoxybenzyl)(met
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Mol. Formula:
C28H26ClN3O6
M.W.:
535.98
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
116.34
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3729445 Name:
5-chloro-N-((5-chlorobenzo[b]thiophen-3-yl)methyl)
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Mol. Formula:
C25H20Cl2N2O4S
M.W.:
515.42
Type:
Small molecule
AlogP:
6.17
Polar Surface Area:
81.08
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3732681 Name:
N-((1H-benzo[d]imidazol-2-yl)methyl)-5-chloro-N-(4
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Mol. Formula:
C24H21ClN4O4
M.W.:
464.91
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
109.76
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3732408 Name:
N-((1H-imidazol-4-yl)methyl)-5-chloro-N-(4-(dimeth
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Mol. Formula:
C20H19ClN4O4
M.W.:
414.85
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
109.76
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3732019 Name:
5-chloro-N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihyd
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Mol. Formula:
C22H20ClN3O4
M.W.:
425.87
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
93.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3733311 Name:
5-chloro-N-(cyclopentylmethyl)-N-(4-(dimethylcarba
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Mol. Formula:
C22H25ClN2O4
M.W.:
416.91
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
81.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3729494 Name:
5-chloro-N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihyd
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Mol. Formula:
C22H20ClN3O4
M.W.:
425.87
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
93.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3730167 Name:
5-chloro-N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihyd
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Mol. Formula:
C21H21ClN4O4
M.W.:
428.88
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
98.90
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3732120 Name:
5-chloro-N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihyd
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Mol. Formula:
C23H28ClN3O4
M.W.:
445.95
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
84.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3731912 Name:
5-chloro-N-(4-(dimethylcarbamoyl)phenyl)-2,4-dihyd
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Mol. Formula:
C22H26ClN3O4
M.W.:
431.92
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
93.11
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3732050 Name:
N-benzyl-2,4-dihydroxy-N-(4-methanesulfonamidophen
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Mol. Formula:
C21H20N2O5S
M.W.:
412.47
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
106.94
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3732168 Name:
N-(4-(N-benzyl-2,4-dihydroxybenzamido)phenyl)-5-me
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Mol. Formula:
C25H21N3O5
M.W.:
443.46
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
115.90
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3733038 Name:
N-(4-(N-benzyl-2,4-dihydroxybenzamido)phenyl)-1H-i
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Mol. Formula:
C29H23N3O4
M.W.:
477.52
Type:
Small molecule
AlogP:
5.68
Polar Surface Area:
105.66
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3729065 Name:
N-(4-(N-benzyl-2,4-dihydroxybenzamido)phenyl)benzo
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Mol. Formula:
C29H22N2O4S
M.W.:
494.57
Type:
Small molecule
AlogP:
6.41
Polar Surface Area:
89.87
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3729408 Name:
N-benzyl-2,4-dihydroxy-N-(4-(2-phenylacetamido)phe
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Mol. Formula:
C28H24N2O4
M.W.:
452.51
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3729058 Name:
N-(4-acetamidophenyl)-N-benzyl-2,4-dihydroxybenzam
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Mol. Formula:
C22H20N2O4
M.W.:
376.41
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3729038 Name:
N-(4-benzamidophenyl)-N-benzyl-2,4-dihydroxybenzam
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Mol. Formula:
C27H22N2O4
M.W.:
438.48
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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