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ALA3786188 Name:
3-benzoyl-9-phenyl-1-p-tolyl-4,6-dithia-1,2,9-tria
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Mol. Formula:
C24H19N3O2S2
M.W.:
445.57
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
52.98
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3785340 Name:
4-(4-(dimethylamino)styryl)-1-hexylpyridinium iodi
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Mol. Formula:
C21H29IN2
M.W.:
436.38
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
7.12
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3786265 Name:
4-(4-(dimethylamino)styryl)-1-(4-fluorobenzyl)pyri
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Mol. Formula:
C22H22FIN2
M.W.:
460.33
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
7.12
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3621882 Name:
2-{1-[(3S)-1-Benzoylpiperidin-3-yl]-1H-1,2,3-triaz
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Mol. Formula:
C20H19N5O3
M.W.:
377.40
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3621881 Name:
2-{1-[(3R)-1-Benzoylpiperidin-3-yl]-1H-1,2,3-triaz
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Mol. Formula:
C20H19N5O3
M.W.:
377.40
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3621880 Name:
rac-2-[1-(1-Phenylpropanoylpiperidin-3-yl)-1H-1,2,
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Mol. Formula:
C22H23N5O3
M.W.:
405.46
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3621879 Name:
rac-2-[1-(1-Phenylacetylpiperidin-3-yl)-1H-1,2,3-t
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Mol. Formula:
C21H21N5O3
M.W.:
391.43
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3621878 Name:
rac-2-[1-(1-Benzoylpiperidin-3-yl)-1H-1,2,3-triazo
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Mol. Formula:
C20H19N5O3
M.W.:
377.40
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3621877 Name:
rac-2-[1-(1-Butyrylpiperidin-3-yl)-1H-1,2,3-triazo
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Mol. Formula:
C17H21N5O3
M.W.:
343.39
Type:
Small molecule
AlogP:
2.00
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3621876 Name:
rac-2-[1-(1-Propionylpiperidin-3-yl)-1H-1,2,3-tria
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Mol. Formula:
C16H19N5O3
M.W.:
329.36
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3621875 Name:
rac-2-[1-(1-Acetylpiperidin-3-yl)-1H-1,2,3-triazol
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Mol. Formula:
C15H17N5O3
M.W.:
315.33
Type:
Small molecule
AlogP:
1.22
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3621874 Name:
rac-2-[1-(1-Phenylpropanoylpyrrolidin-3-yl)-1H-1,2
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Mol. Formula:
C21H21N5O3
M.W.:
391.43
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3621873 Name:
rac-2-[1-(1-Phenylacetylpyrrolidin-3-yl)-1H-1,2,3-
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Mol. Formula:
C20H19N5O3
M.W.:
377.40
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3621872 Name:
rac-2-[1-(1-Benzoylpyrrolidin-3-yl)-1H-1,2,3-triaz
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Mol. Formula:
C19H17N5O3
M.W.:
363.38
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3621871 Name:
rac-2-[1-(1-Butyrylpyrrolidin-3-yl)-1H-1,2,3-triaz
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Mol. Formula:
C16H19N5O3
M.W.:
329.36
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3621870 Name:
2-[1-(1-Phenylpropanoylazetidin-3-yl)-1H-1,2,3-tri
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Mol. Formula:
C20H19N5O3
M.W.:
377.40
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3621869 Name:
2-[1-(1-Phenylacetylazetidin-3-yl)-1H-1,2,3-triazo
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Mol. Formula:
C19H17N5O3
M.W.:
363.38
Type:
Small molecule
AlogP:
1.66
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3621868 Name:
2-[1-(1-Benzoylazetidin-3-yl)-1H-1,2,3-triazol-4-y
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Mol. Formula:
C18H15N5O3
M.W.:
349.35
Type:
Small molecule
AlogP:
1.74
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3621867 Name:
2-[1-(1-Butyrylazetidin-3-yl)-1H-1,2,3-triazol-4-y
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Mol. Formula:
C15H17N5O3
M.W.:
315.33
Type:
Small molecule
AlogP:
1.22
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3621866 Name:
2-[1-(1-Propionylazetidin-3-yl)-1H-1,2,3-triazol-4
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Mol. Formula:
C14H15N5O3
M.W.:
301.31
Type:
Small molecule
AlogP:
0.83
Polar Surface Area:
101.21
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
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