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ALA5280080 Name:
(E)-2-((5-((5-ethylfuran-2-yl)methylene)-4-oxo-4,5
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Mol. Formula:
C18H15FN2O4S
M.W.:
374.39
Type:
---
AlogP:
3.37
Polar Surface Area:
91.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5279984 Name:
(Z)-2-((5-((5-ethylfuran-2-yl)methylene)-4-oxo-4,5
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Mol. Formula:
C18H15FN2O4S
M.W.:
374.39
Type:
---
AlogP:
3.37
Polar Surface Area:
91.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA2296936 Name:
2-(4-((4-carbamoyl-4'-chlorobiphenyl-2-yl)methoxy)
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Mol. Formula:
C34H29ClFN3O4
M.W.:
598.07
Type:
Small molecule
AlogP:
8.04
Polar Surface Area:
107.44
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2296935 Name:
2-(4-((4-(acetylcarbamoyl)-4'-chlorobiphenyl-2-yl)
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Mol. Formula:
C36H31ClFN3O5
M.W.:
640.11
Type:
Small molecule
AlogP:
8.22
Polar Surface Area:
110.52
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2296656 Name:
2-(4-((4-(4-chlorophenyl)-2-methylpyrimidin-5-yl)m
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Mol. Formula:
C32H28ClFN4O3
M.W.:
571.05
Type:
Small molecule
AlogP:
8.04
Polar Surface Area:
90.13
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4548919 Name:
(4-(N-(5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylc
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Mol. Formula:
C26H23BF2N2O6S
M.W.:
540.35
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4547789 Name:
5-(3-Chloro-4-methoxy-5-((1-(pyrimidin-2-yl)cyclop
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Mol. Formula:
C34H31ClFN5O6S
M.W.:
692.17
Type:
Unknown
AlogP:
5.92
Polar Surface Area:
143.73
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4546969 Name:
7-(4-Methoxybenzylidene)-3,4-dihydro-3-(4-methoxyp
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Mol. Formula:
C20H19N3O3S
M.W.:
381.46
Type:
Unknown
AlogP:
1.81
Polar Surface Area:
56.06
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4546966 Name:
6-(N-ethylacetamido)-2-(4-fluorophenyl)-5-(4-metho
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Mol. Formula:
C35H32FN5O5
M.W.:
621.67
Type:
Unknown
AlogP:
5.86
Polar Surface Area:
126.66
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4546784 Name:
2-(4-fluorophenyl)-N-methyl-5-(3-(1-(pyridin-2-yl)
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Mol. Formula:
C31H24FN3O3
M.W.:
505.55
Type:
Unknown
AlogP:
6.08
Polar Surface Area:
84.23
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4549638 Name:
6-(N-ethylmethylsulfonamido)-2-(4-fluorophenyl)-N-
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Mol. Formula:
C33H30FN5O5S
M.W.:
627.70
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
134.50
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5272023 Name:
(Z)-5-(4-bromobenzylidene)-3-((phenylsulfonyl)meth
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Mol. Formula:
C17H12BrNO3S3
M.W.:
454.39
Type:
---
AlogP:
4.08
Polar Surface Area:
54.45
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4560888 Name:
7-(4-Fluorobenzylidene)-3,4-dihydro-3-phenyl-2H-th
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Mol. Formula:
C18H14FN3OS
M.W.:
339.40
Type:
Unknown
AlogP:
1.93
Polar Surface Area:
37.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4558013 Name:
(2S,4S,5R)-1-(4-(tert-butyl)-3-methoxybenzoyl)-2-i
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Mol. Formula:
C26H37NO8
M.W.:
491.58
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
111.60
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4555125 Name:
7-(4-Methoxybenzylidene)-3-(4-chlorophenyl)-3,4-di
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Mol. Formula:
C19H16ClN3O2S
M.W.:
385.88
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
46.83
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4554477 Name:
2-(5-(4-Methoxybenzylidene)-2,4-dioxothiazolidin-3
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Mol. Formula:
C20H18N2O5S
M.W.:
398.44
Type:
Unknown
AlogP:
3.38
Polar Surface Area:
84.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4554145 Name:
2-(5-(4-Fluorobenzylidene)-2,4-dioxothiazolidin-3-
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Mol. Formula:
C18H12ClFN2O3S
M.W.:
390.82
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
66.48
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4551328 Name:
(2S,4S,5R)-1-(4-(tert-butyl)-3-methoxybenzoyl)-5-(
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Mol. Formula:
C29H40N2O7S
M.W.:
560.71
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
115.26
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4540766 Name:
(2S)-isopropyl 2-((((2R,3R,4S,5R)-5-(6-amino-9H-pu
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Mol. Formula:
C22H27BrFN6O8P
M.W.:
633.37
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
192.91
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4537114 Name:
(4-(N-(5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylc
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Mol. Formula:
C27H23BF4N2O6S
M.W.:
590.36
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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