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ALA4879376 Name:
5-(4-(hydroxymethyl)benzyl)-3-(4-(thiophen-3-yl)ph
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Mol. Formula:
C20H16N2O2S
M.W.:
348.43
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
59.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4877213 Name:
(S)-5-(1-amino-2-(4-hydroxyphenyl)ethyl)-3-(4-(thi
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Mol. Formula:
C20H17N3O2S
M.W.:
363.44
Type:
Unknown
AlogP:
4.41
Polar Surface Area:
85.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4875450 Name:
5-((2S-4R)-1-acetyl-4-hydroxypyrrolidin-2-yl)-3-(4
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Mol. Formula:
C18H17N3O3S
M.W.:
355.42
Type:
Unknown
AlogP:
3.12
Polar Surface Area:
79.46
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4875067 Name:
5-(1-amino-1-methyl-2-(4-hydroxyphenyl)ethyl)-3-(4
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Mol. Formula:
C21H19N3O2S
M.W.:
377.47
Type:
Unknown
AlogP:
4.59
Polar Surface Area:
85.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5285589 Name:
N-(5-(2'-Amino-(1,1'-biphenyl)-4-yl)-1,3,4-thiadia
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Mol. Formula:
C20H13Cl2N5OS
M.W.:
442.33
Type:
---
AlogP:
5.41
Polar Surface Area:
93.79
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5284133 Name:
2-Bromo-N-(5-(3'-hydroxy-(1,1'-biphenyl)-4-yl)-1,3
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Mol. Formula:
C21H14BrN3O2S
M.W.:
452.33
Type:
---
AlogP:
5.59
Polar Surface Area:
75.11
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5284121 Name:
N-(5-(2'-Amino-(1,1'-biphenyl)-4-yl)-1,3,4-thiadia
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Mol. Formula:
C21H15BrN4OS
M.W.:
451.35
Type:
---
AlogP:
5.47
Polar Surface Area:
80.90
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5281193 Name:
N-(5-(3'-Hydroxy-(1,1'-biphenyl)-4-yl)-1,3,4-thiad
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Mol. Formula:
C20H15N3O3S
M.W.:
377.43
Type:
---
AlogP:
4.73
Polar Surface Area:
88.25
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4868036 Name:
5-(1-(4-hydroxyphenyl)ethyl)-3-(4-(thiophen-3-yl)p
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Mol. Formula:
C20H16N2O2S
M.W.:
348.43
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
59.15
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4866994 Name:
5-(2,4,5-trifluoro-3-hydroxyphenyl)-3-(4-(thiophen
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Mol. Formula:
C18H9F3N2O2S
M.W.:
374.34
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
59.15
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4864712 Name:
5-(5-amino-2-hydroxyphenyl)-3-(4-(thiophen-3-yl)ph
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Mol. Formula:
C18H13N3O2S
M.W.:
335.39
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
85.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4859292 Name:
5-(2-(3-hydroxyphenyl)ethyl)-3-(4-(thiophen-3-yl)p
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Mol. Formula:
C20H16N2O2S
M.W.:
348.43
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
59.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4861048 Name:
5-(1H-indol-4-yl)-3-(4-(thiophen-3-yl)phenyl)-1,2,
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Mol. Formula:
C20H13N3OS
M.W.:
343.41
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
54.71
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3694576 Name:
US8759537, 180
Mol. Formula:
C27H28Cl2F5N5O2
M.W.:
620.45
Type:
Small molecule
AlogP:
7.40
Polar Surface Area:
98.91
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3694575 Name:
US8759537, 179
Mol. Formula:
C31H31Cl3FN5O4
M.W.:
662.98
Type:
Small molecule
AlogP:
7.50
Polar Surface Area:
106.51
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3694574 Name:
US8759537, 178
Mol. Formula:
C30H31Cl3FN5O4
M.W.:
650.97
Type:
Small molecule
AlogP:
7.36
Polar Surface Area:
106.51
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3694573 Name:
US8759537, 177
Mol. Formula:
C29H28Cl3F2N5O3
M.W.:
638.93
Type:
Small molecule
AlogP:
7.68
Polar Surface Area:
97.28
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3694572 Name:
US8759537, 85
Mol. Formula:
C29H26Cl2F5N5O3
M.W.:
658.46
Type:
Small molecule
AlogP:
7.60
Polar Surface Area:
97.28
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3694571 Name:
US8759537, 82
Mol. Formula:
C31H35Cl2F5N6O3
M.W.:
705.56
Type:
Small molecule
AlogP:
7.81
Polar Surface Area:
100.52
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3694570 Name:
US8759537, 81
Mol. Formula:
C30H31Cl2F7N6O3
M.W.:
727.51
Type:
Small molecule
AlogP:
7.67
Polar Surface Area:
100.52
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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