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ALA5286608 Name:
6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)pheny
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Mol. Formula:
C20H22N2O2
M.W.:
322.41
Type:
---
AlogP:
3.80
Polar Surface Area:
58.02
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5285110 Name:
6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car
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Mol. Formula:
C23H24ClN3O3
M.W.:
425.92
Type:
---
AlogP:
4.01
Polar Surface Area:
67.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5284261 Name:
6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-car
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Mol. Formula:
C23H25N3O3
M.W.:
391.47
Type:
---
AlogP:
3.35
Polar Surface Area:
67.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5280605 Name:
6-(but-2-en-1-yl)-2-methyl-4-(3-methyl-4-(morpholi
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Mol. Formula:
C24H27N3O3
M.W.:
405.50
Type:
---
AlogP:
3.66
Polar Surface Area:
67.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5279182 Name:
6-(but-2-en-1-yl)-4-(3-methoxy-4-(morpholine-4-car
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Mol. Formula:
C24H27N3O4
M.W.:
421.50
Type:
---
AlogP:
3.36
Polar Surface Area:
76.56
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5289762 Name:
6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-2,5-
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Mol. Formula:
C23H28N2O4
M.W.:
396.49
Type:
---
AlogP:
4.13
Polar Surface Area:
76.48
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4551010 Name:
7-methyl-5-(4-(morpholine-4-carbonyl)phenyl)imidaz
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Mol. Formula:
C18H18N4O3
M.W.:
338.37
Type:
Unknown
AlogP:
1.17
Polar Surface Area:
68.84
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4549494 Name:
(E)-7-(but-2-en-1-yl)-5-(3-fluoro-4-(4-(methylsulf
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Mol. Formula:
C22H24FN5O4S
M.W.:
473.53
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
96.99
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5270178 Name:
6-but-2-enyl-4-[4-(morpholine-4-carbonyl)phenyl]-1
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Mol. Formula:
C22H23N3O3
M.W.:
377.44
Type:
---
AlogP:
3.05
Polar Surface Area:
67.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5268936 Name:
5-(6-(but-2-en-1-yl)-2-methyl-7-oxo-6,7-dihydro-1H
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Mol. Formula:
C24H24N4O3
M.W.:
416.48
Type:
---
AlogP:
3.23
Polar Surface Area:
91.12
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5268484 Name:
6-(but-2-en-1-yl)-4-(2,5-dimethoxy-4-(morpholine-4
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Mol. Formula:
C25H29N3O5
M.W.:
451.52
Type:
---
AlogP:
3.37
Polar Surface Area:
85.79
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5267719 Name:
1,4-Dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)
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Mol. Formula:
C16H18N2O2
M.W.:
270.33
Type:
---
AlogP:
2.36
Polar Surface Area:
42.31
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA5206088 Name:
2-(2-cyclopentyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-
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Mol. Formula:
C33H34FN3O4
M.W.:
555.65
Type:
---
AlogP:
7.62
Polar Surface Area:
93.28
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5205742 Name:
2-(2-cyclobutyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2
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Mol. Formula:
C32H32FN3O4
M.W.:
541.62
Type:
---
AlogP:
7.23
Polar Surface Area:
93.28
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5204783 Name:
2-(2-cyclohexyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2
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Mol. Formula:
C34H36FN3O4
M.W.:
569.68
Type:
---
AlogP:
8.01
Polar Surface Area:
93.28
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5178480 Name:
2-(2-cyclopropyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-
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Mol. Formula:
C31H30FN3O4
M.W.:
527.60
Type:
---
AlogP:
6.84
Polar Surface Area:
93.28
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5094818 Name:
3-(4-(4-(1-(5-chloro-2-methoxy-4-(2-methyl-1-oxo-1
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Mol. Formula:
C37H39ClF3N7O4
M.W.:
738.21
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
112.04
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5094780 Name:
3-(4-(1-((6-(2,6-dimethoxy-4-(6-methyl-7-oxo-6,7-d
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Mol. Formula:
C40H43F2N7O5S
M.W.:
771.89
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
133.82
HBA:
11
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5092303 Name:
3-(3-fluoro-4-(1'-(1-(4-(7-fluoro-2-methyl-1-oxo-1
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Mol. Formula:
C40H42F5N5O4
M.W.:
751.80
Type:
Unknown
AlogP:
7.29
Polar Surface Area:
95.91
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5079575 Name:
3-(4-(1-(2-(7-(2,6-dimethoxy-4-(6-methyl-7-oxo-6,7
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Mol. Formula:
C41H50N8O6
M.W.:
750.90
Type:
Unknown
AlogP:
3.47
Polar Surface Area:
154.13
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
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