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ALA4095021 Name:
2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((4-((3-
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Mol. Formula:
C36H46N6O5
M.W.:
642.80
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
132.11
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4100323 Name:
2-(3-((2-((3-aminopropyl)amino)ethyl)amino)propyl)
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Mol. Formula:
C33H40N6O5
M.W.:
600.72
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
146.10
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4092588 Name:
2-(3-((4-aminobutyl)amino)propyl)-7-(3-((2-methoxy
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Mol. Formula:
C32H37N5O5
M.W.:
571.68
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
134.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4091846 Name:
2-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)
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Mol. Formula:
C35H44N6O5
M.W.:
628.77
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
146.10
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4084089 Name:
2-(3-((3-aminopropyl)amino)propyl)-7-(3-((2-methox
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Mol. Formula:
C31H35N5O5
M.W.:
557.65
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
134.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4064888 Name:
2-(4-((4-aminobutyl)amino)butyl)-7-(3-((2-methoxyb
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Mol. Formula:
C32H37N5O5
M.W.:
571.68
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
134.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4074553 Name:
2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((3-(met
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Mol. Formula:
C32H37N5O5
M.W.:
571.68
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
120.08
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4648268 Name:
rac-1-((9H-carbazol-4-yl)oxy)-3-((2-methylquinolin
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Mol. Formula:
C25H23N3O2
M.W.:
397.48
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
70.17
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4647987 Name:
rac-1-(([1,1'-biphenyl]-4-ylmethyl)amino)-3-(3-(ph
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Mol. Formula:
C28H28N2O2
M.W.:
424.54
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
53.52
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4647396 Name:
rac-1-([1,1'-biphenyl]-4-yloxy)-3-((2-(2-methoxyph
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Mol. Formula:
C24H27NO4
M.W.:
393.48
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
59.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4646676 Name:
4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)-9H-c
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Mol. Formula:
C24H26N4O
M.W.:
386.50
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
44.39
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4649826 Name:
3-((9H-carbazol-4-yl)oxy)-N-([1,1'-biphenyl]-4-ylm
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Mol. Formula:
C28H26N2O
M.W.:
406.53
Type:
Unknown
AlogP:
6.55
Polar Surface Area:
37.05
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4646099 Name:
(S)-1-((9H-carbazol-4-yl)oxy)-3-(([1,1'-biphenyl]-
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Mol. Formula:
C28H26N2O2
M.W.:
422.53
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
57.28
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4643089 Name:
rac-1-([1,1'-biphenyl]-4-yloxy)-3-(4-phenylpiperaz
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Mol. Formula:
C25H28N2O2
M.W.:
388.51
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
35.94
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4641718 Name:
4-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)-9
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Mol. Formula:
C26H29N3O2
M.W.:
415.54
Type:
Unknown
AlogP:
4.92
Polar Surface Area:
40.73
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4641529 Name:
rac-1-([1,1'-biphenyl]-4-yloxy)-3-(4-(pyridin-2-yl
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Mol. Formula:
C24H27N3O2
M.W.:
389.50
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
48.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4640999 Name:
rac-1-((9H-carbazol-4-yl)oxy)-3-(([1,1'-biphenyl]-
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Mol. Formula:
C28H26N2O2
M.W.:
422.53
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
57.28
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4640312 Name:
N-(3-((9H-carbazol-4-yl)oxy)propyl)-2-methylquinol
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Mol. Formula:
C25H23N3O
M.W.:
381.48
Type:
Unknown
AlogP:
6.06
Polar Surface Area:
49.94
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4638494 Name:
rac-1-((9H-carbazol-4-yl)oxy)-3-(4-(pyridin-2-yl)p
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Mol. Formula:
C24H26N4O2
M.W.:
402.50
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
64.62
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4637718 Name:
4-(3-(4-phenylpiperazin-1-yl)propoxy)-9H-carbazole
Mol. Formula:
C25H27N3O
M.W.:
385.51
Type:
Unknown
AlogP:
4.91
Polar Surface Area:
31.50
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
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