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ALA5284443 Name:
2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]qui
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Mol. Formula:
C27H29N3O2S
M.W.:
459.62
Type:
---
AlogP:
5.42
Polar Surface Area:
63.99
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5290836 Name:
2-((4-chlorobenzyl)thio)-3-ethyl-3H-spiro[benzo[h]
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Mol. Formula:
C26H27ClN2OS
M.W.:
451.04
Type:
---
AlogP:
6.63
Polar Surface Area:
34.89
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5289978 Name:
2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]qui
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Mol. Formula:
C27H37N3O2S
M.W.:
467.68
Type:
---
AlogP:
5.43
Polar Surface Area:
55.20
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4790891 Name:
3-(5-(biphenyl-4-yl)-2-oxo-1,3,4-oxadiazol-3(2H)-y
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Mol. Formula:
C17H13N3O2
M.W.:
291.31
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
71.82
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5277454 Name:
2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]qui
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Mol. Formula:
C28H28F3N3O2S
M.W.:
527.61
Type:
---
AlogP:
6.44
Polar Surface Area:
63.99
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5270214 Name:
N-(2-chlorophenyl)-2-((3-ethyl-4-oxo-4,6-dihydro-3
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Mol. Formula:
C27H28ClN3O2S
M.W.:
494.06
Type:
---
AlogP:
6.07
Polar Surface Area:
63.99
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5270085 Name:
3-ethyl-2-(methylthio)-3H-spiro[benzo[h]quinazolin
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Mol. Formula:
C20H24N2OS
M.W.:
340.49
Type:
---
AlogP:
4.41
Polar Surface Area:
34.89
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5267876 Name:
3-ethyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quin
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Mol. Formula:
C19H22N2OS
M.W.:
326.47
Type:
---
AlogP:
4.35
Polar Surface Area:
37.79
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5208308 Name:
3-(3-fluoro-2-methylbenzyl)-6-((R)-3-hydroxypyrrol
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Mol. Formula:
C20H20FNO3
M.W.:
341.38
Type:
---
AlogP:
3.16
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5208071 Name:
(3S)-1-(1-(3,4-Difluorobenzyl)-3-oxo-1,3-dihydrois
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Mol. Formula:
C20H18F2N2O3
M.W.:
372.37
Type:
---
AlogP:
2.73
Polar Surface Area:
72.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5206291 Name:
6-((R)-3-Hydroxypyrrolidin-1-yl)-3-(2-methyl-4-(tr
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Mol. Formula:
C21H20F3NO4
M.W.:
407.39
Type:
---
AlogP:
3.92
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5200168 Name:
3-(2,5-Difluorobenzyl)-6-((R)-3-hydroxypyrrolidin-
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Mol. Formula:
C19H17F2NO3
M.W.:
345.35
Type:
---
AlogP:
2.99
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5197093 Name:
3-(4-Fluorobenzyl)-6-((R)-3-hydroxypyrrolidin-1-yl
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Mol. Formula:
C19H18FNO3
M.W.:
327.36
Type:
---
AlogP:
2.85
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5196664 Name:
3-(5-Fluoro-2-methylbenzyl)-6-((R)-3-hydroxypyrrol
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Mol. Formula:
C20H20FNO3
M.W.:
341.38
Type:
---
AlogP:
3.16
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5196515 Name:
6-((S)-3-Hydroxypyrrolidin-1-yl)-3-(4-(trifluorome
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Mol. Formula:
C20H18F3NO3
M.W.:
377.36
Type:
---
AlogP:
3.73
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5195686 Name:
3-(4-Chlorobenzyl)-6-((R)-3-hydroxypyrrolidin-1-yl
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Mol. Formula:
C19H18ClNO3
M.W.:
343.81
Type:
---
AlogP:
3.37
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5188477 Name:
3-(3-Fluorobenzyl)-6-((R)-3-hydroxypyrrolidin-1-yl
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Mol. Formula:
C19H18FNO3
M.W.:
327.36
Type:
---
AlogP:
2.85
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5187602 Name:
3-(3,4-difluorobenzyl)-6-((R)-3-methoxypyrrolidin-
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Mol. Formula:
C20H19F2NO3
M.W.:
359.37
Type:
---
AlogP:
3.64
Polar Surface Area:
38.77
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5186404 Name:
(3R)-1-(1-(3,4-difluorobenzyl)-3-oxo-1,3-dihydrois
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Mol. Formula:
C20H18F2N2O3
M.W.:
372.37
Type:
---
AlogP:
2.73
Polar Surface Area:
72.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5183935 Name:
(3S)-1-(3-oxo-1-(4-(trifluoromethyl)benzyl)-1,3-di
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Mol. Formula:
C21H19F3N2O3
M.W.:
404.39
Type:
---
AlogP:
3.47
Polar Surface Area:
72.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
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