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ALA4876599 Name:
(3aR,5s,6aS)-N-(6-phenylpyridazin-3-yl)-2-((tetrah
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Mol. Formula:
C23H30N4O
M.W.:
378.52
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4873617 Name:
(3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-yl)methyl-d
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Mol. Formula:
C23H27F3N4O
M.W.:
434.50
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4873386 Name:
(3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridaz
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Mol. Formula:
C23H28ClFN4O
M.W.:
430.96
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4872142 Name:
(S)-N-acetyl-6-amino-2-((S)-5-guanidino-2-(propyla
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Mol. Formula:
C21H37F6N7O7
M.W.:
613.56
Type:
Unknown
AlogP:
-1.11
Polar Surface Area:
175.22
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4864914 Name:
(3aR,5s,6aS)-N-(6-(2,5-difluorophenyl)pyridazin-3-
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Mol. Formula:
C23H28F2N4O
M.W.:
414.50
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4861863 Name:
(3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridaz
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Mol. Formula:
C23H28ClFN4O
M.W.:
432.97
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4860985 Name:
(3aR,5s,6aS)-N-(6-(4-fluorophenyl)pyridazin-3-yl)-
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Mol. Formula:
C23H29FN4O
M.W.:
396.51
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4848896 Name:
(3aR,5s,6aS)-N-(6-(pyridin-3-yl)pyridazin-3-yl)-2-
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Mol. Formula:
C22H29N5O
M.W.:
379.51
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
63.17
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4846035 Name:
(S)-N-acetyl-6-amino-2-((S)-2-((S)-5-guanidino-2-(
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Mol. Formula:
C24H42F6N8O8
M.W.:
684.64
Type:
Unknown
AlogP:
-1.60
Polar Surface Area:
204.32
HBA:
7
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5274306 Name:
(1-(4-fluorophenyl)-1H-indol-5-yl)(3-(4-(pyrimidin
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Mol. Formula:
C26H25FN6O
M.W.:
456.53
Type:
---
AlogP:
3.21
Polar Surface Area:
57.50
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5200705 Name:
1-(3-chlorobenzyl)-4-(4,4-difluoropiperidin-1-yl)-
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Mol. Formula:
C23H20ClF2N3
M.W.:
411.88
Type:
---
AlogP:
6.13
Polar Surface Area:
21.06
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4793864 Name:
2-(2-methylindolin-1-yl)-1-(1-piperidyl)ethanone
Mol. Formula:
C16H22N2O
M.W.:
258.37
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA4560341 Name:
Bencycloquidium bromide
Cas Number:
860804-18-8
Mol. Formula:
C21H32BrNO2
M.W.:
410.40
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4855467 Name:
N-(4-(6-(((3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-y
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Mol. Formula:
C25H33N5O2
M.W.:
435.57
Type:
Unknown
AlogP:
3.65
Polar Surface Area:
79.38
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4854289 Name:
(3aR,5s,6aS)-N-(6-(3-fluorophenyl)pyridazin-3-yl)-
Show More⌵
Mol. Formula:
C23H29FN4O
M.W.:
396.51
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4852133 Name:
(S)-N-acetyl-6-amino-2-((S)-4-guanidino-2-(propyla
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Mol. Formula:
C20H35F6N7O7
M.W.:
599.53
Type:
Unknown
AlogP:
-1.50
Polar Surface Area:
175.22
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4851711 Name:
(3aR,5s,6aS)-N-(6-(2-fluorophenyl)pyridazin-3-yl)-
Show More⌵
Mol. Formula:
C23H29FN4O
M.W.:
396.51
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4092094 Name:
5,5'-(2,2'-(Piperazine-1,4-diyl)bis(acetyl))bis(5,
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Mol. Formula:
C38H32F6N6O8
M.W.:
814.70
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
105.30
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4089543 Name:
5-[(2,3-ditritiopropanoylamino)methyl]-N1,N3-bis[2
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Mol. Formula:
C84H95F12N15O17
M.W.:
1818.76
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4475862 Name:
(4-(4-(3-chlorophenylsulfonyl)benzyl)-1,4'-bipiper
Show More⌵
Mol. Formula:
C31H35ClN2O3S
M.W.:
551.15
Type:
Unknown
AlogP:
6.04
Polar Surface Area:
57.69
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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