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ALA1078745 Name:
N-(1-(3-ethoxy-5-(tetrahydro-2H-pyran-4-yloxy)benz
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Mol. Formula:
C26H33N3O4
M.W.:
451.57
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
68.99
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1078451 Name:
N-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-yl)b
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Mol. Formula:
C23H28FN3O3
M.W.:
413.49
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
59.76
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1078450 Name:
ethyl 4-((4-(benzo[d]oxazol-2-ylamino)piperidin-1-
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Mol. Formula:
C26H33N3O5
M.W.:
467.57
Type:
Small molecule
AlogP:
4.88
Polar Surface Area:
86.06
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1078449 Name:
N-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-yl)be
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Mol. Formula:
C23H30N4O3
M.W.:
410.52
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
85.78
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1078173 Name:
N-(1-(3-ethoxy-4-isopropoxybenzyl)piperidin-4-yl)b
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Mol. Formula:
C24H31N3O3
M.W.:
409.53
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
59.76
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1078081 Name:
N-(1-(4-cyclopropoxy-3-ethoxybenzyl)piperidin-4-yl
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Mol. Formula:
C24H29N3O3
M.W.:
407.51
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
59.76
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA1077887 Name:
N-(1-(3-ethoxy-4-(trifluoromethyl)benzyl)piperidin
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Mol. Formula:
C22H24F3N3O2
M.W.:
419.45
Type:
Small molecule
AlogP:
5.32
Polar Surface Area:
50.53
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1077877 Name:
N-(1-(3-(2-fluoroethoxy)-4-methoxybenzyl)piperidin
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Mol. Formula:
C22H26FN3O3
M.W.:
399.47
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
59.76
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1077742 Name:
N-(1-(3,4-dimethoxybenzyl)piperidin-4-yl)benzo[d]o
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Mol. Formula:
C21H25N3O3
M.W.:
367.45
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
59.76
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1078438 Name:
N-(1-((5-ethoxy-6-methoxypyridin-3-yl)methyl)piper
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Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
72.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1078841 Name:
N-(1-(3-(ethylamino)-4-methoxybenzyl)piperidin-4-y
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Mol. Formula:
C22H28N4O2
M.W.:
380.49
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
62.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1077724 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)-1H-
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Mol. Formula:
C22H28N4O2
M.W.:
380.49
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
62.41
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1077723 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)oxaz
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Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
72.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1077722 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)oxaz
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Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
72.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1077721 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)oxaz
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Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
72.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1078240 Name:
5-chloro-2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-
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Mol. Formula:
C22H27ClN4O5S
M.W.:
495.00
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
119.92
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1078528 Name:
2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylamino
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Mol. Formula:
C24H32N4O5S
M.W.:
488.61
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
97.14
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1078283 Name:
N-(2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylam
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Mol. Formula:
C24H30N4O4
M.W.:
438.53
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
88.86
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1078215 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)-5-(
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Mol. Formula:
C23H26F3N3O4
M.W.:
465.47
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
68.99
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1079314 Name:
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)-5-n
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Mol. Formula:
C22H26N4O5
M.W.:
426.47
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
102.90
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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