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ALA1078270 Name:
N-(4-fluorophenyl)-5-((2,3,4,5-tetrahydro-1H-benzo
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Mol. Formula:
C23H22FN3O3S
M.W.:
439.51
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
88.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1077736 Name:
7-((4-butylphenylsulfonyl)methyl)-2,3,4,5-tetrahyd
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Mol. Formula:
C21H27NO2S
M.W.:
357.52
Type:
Small molecule
AlogP:
3.69
Polar Surface Area:
46.17
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1077734 Name:
N-methyl-6-morpholino-N-((2,3,4,5-tetrahydro-1H-be
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Mol. Formula:
C22H28N4O2
M.W.:
380.49
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
57.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1077733 Name:
N-methyl-6-morpholino-N-(2,3,4,5-tetrahydro-1H-ben
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Mol. Formula:
C21H26N4O2
M.W.:
366.47
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
57.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA1078639 Name:
N-(6-morpholinopyridin-3-yl)-2,3,4,5-tetrahydro-1H
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Mol. Formula:
C20H24N4O2
M.W.:
352.44
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
66.49
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1078540 Name:
6-morpholino-N-(2,3,4,5-tetrahydro-1H-benzo[d]azep
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Mol. Formula:
C20H24N4O2
M.W.:
352.44
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
66.49
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1079262 Name:
N-(6-morpholinopyridin-3-yl)-2,3,4,5-tetrahydro-1H
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Mol. Formula:
C19H24N4O3S
M.W.:
388.49
Type:
Small molecule
AlogP:
1.41
Polar Surface Area:
83.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1079261 Name:
4-butyl-N-methyl-N-(2,3,4,5-tetrahydro-1H-benzo[d]
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Mol. Formula:
C21H28N2O2S
M.W.:
372.53
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA1079260 Name:
6-morpholino-N-(2,3,4,5-tetrahydro-1H-benzo[d]azep
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Mol. Formula:
C19H24N4O3S
M.W.:
388.49
Type:
Small molecule
AlogP:
1.41
Polar Surface Area:
83.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1079868 Name:
4-butyl-N-(3-((1-methyl-1H-imidazol-5-yl)methyl)-2
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Mol. Formula:
C25H32N4O2S
M.W.:
452.62
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
67.23
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1078807 Name:
N-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7
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Mol. Formula:
C27H32N2O2S
M.W.:
448.63
Type:
Small molecule
AlogP:
5.43
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1078863 Name:
N-(3-(1-acetylpiperidin-4-yl)-2,3,4,5-tetrahydro-1
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Mol. Formula:
C27H37N3O3S
M.W.:
483.68
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
69.72
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1078587 Name:
4-butyl-N-(3-(1-methylpiperidin-4-yl)-2,3,4,5-tetr
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Mol. Formula:
C26H37N3O2S
M.W.:
455.67
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
52.65
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5203126 Name:
(trans)-(S)-4-(5-(hydroxymethyl)-2-methylphenoxy)-
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Mol. Formula:
C29H41N3O3
M.W.:
479.67
Type:
---
AlogP:
4.19
Polar Surface Area:
65.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
Type:
---
AlogP:
3.88
Polar Surface Area:
65.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5197045 Name:
(trans)-(S)-4-(4-fluorophenoxy)-N-methyl-N-(4-((3-
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Mol. Formula:
C26H34FN3O2
M.W.:
439.58
Type:
---
AlogP:
4.22
Polar Surface Area:
44.81
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5196982 Name:
(trans)-(S)-4-(3-(2-hydroxyethyl)phenoxy)-N-methyl
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Mol. Formula:
C29H41N3O3
M.W.:
479.67
Type:
---
AlogP:
3.92
Polar Surface Area:
65.04
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5196819 Name:
(trans)-(S)-4-(2-cyanopyridin-4-yloxy)-N-(4-((3-et
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Mol. Formula:
C28H37N5O2
M.W.:
475.64
Type:
---
AlogP:
4.05
Polar Surface Area:
81.49
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5192584 Name:
(trans)-(S)-4-(3-(ethoxymethyl)phenylamino)-N-meth
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Mol. Formula:
C30H44N4O2
M.W.:
492.71
Type:
---
AlogP:
4.96
Polar Surface Area:
56.84
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5192530 Name:
(trans)-(S)-4-(3-(2-(isopropylamino)-2-oxoethyl)ph
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Mol. Formula:
C32H46N4O3
M.W.:
534.75
Type:
---
AlogP:
4.46
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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