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ALA4878961 Name:
6-(4-bromophenyl)-4-(4-(2-chlorophenyl)piperazin-1
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Mol. Formula:
C22H17BrClN3O2
M.W.:
470.75
Type:
Unknown
AlogP:
4.92
Polar Surface Area:
60.48
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4878658 Name:
5-Nitrothiophen-2-yl-N-t-butyl nitrone
Mol. Formula:
C9H12N2O3S
M.W.:
228.27
Type:
Unknown
AlogP:
2.38
Polar Surface Area:
69.21
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4878100 Name:
8-(4-bromophenyl)-6-(4-(2-hydroxyphenyl)piperazin-
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Mol. Formula:
C26H24BrN3OS
M.W.:
506.47
Type:
Unknown
AlogP:
5.81
Polar Surface Area:
50.50
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4876294 Name:
5-Nitrofuran-2-yl-N-benzylnitrone
Mol. Formula:
C12H10N2O4
M.W.:
246.22
Type:
Unknown
AlogP:
2.32
Polar Surface Area:
82.35
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4876232 Name:
6-(4-(2-hydroxyphenyl)piperazin-1-yl)-8-(thiophen-
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Mol. Formula:
C24H23N3OS2
M.W.:
433.60
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
50.50
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4875284 Name:
5-(4-(2-hydroxyphenyl)piperazin-1-yl)-7-phenyl-2,3
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Mol. Formula:
C25H23N3OS
M.W.:
413.55
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
50.50
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4873636 Name:
(3R,4R)-8-hydroxy-3-((S)-2-hydroxypentyl)-4,6,7-tr
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Mol. Formula:
C17H24O7
M.W.:
340.37
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
94.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4873233 Name:
4-(4-(2-chlorophenyl)piperazin-1-yl)-6-(4-methoxyp
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Mol. Formula:
C23H20ClN3O3
M.W.:
421.88
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
69.71
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4871887 Name:
5-Nitrothiophen-2-yl-N-methyl nitrone
Mol. Formula:
C6H6N2O3S
M.W.:
186.19
Type:
Unknown
AlogP:
1.22
Polar Surface Area:
69.21
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4871480 Name:
4-(4-(2-hydroxyphenyl)piperazin-1-yl)-6-(naphthale
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Mol. Formula:
C26H21N3O3
M.W.:
423.47
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
80.71
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5282032 Name:
2-(6-(2-(4-chlorophenyl)-2-oxoethyl)-5-(2-oxo-2H-c
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Mol. Formula:
C22H14ClN3O4
M.W.:
419.82
Type:
---
AlogP:
4.13
Polar Surface Area:
105.02
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5281308 Name:
5-O-[beta-D-glucopyranosyl]-7,3',4'-methoxy-4-phen
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Mol. Formula:
C24H26O11
M.W.:
490.46
Type:
---
AlogP:
0.66
Polar Surface Area:
157.28
HBA:
11
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5281197 Name:
N1-(6-chloro-2-methoxyacridin-9-yl)-N8-(7-chloro-2
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Mol. Formula:
C35H35Cl2N5O2
M.W.:
628.60
Type:
---
AlogP:
9.67
Polar Surface Area:
81.19
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5279998 Name:
3-((2-chloro-8-methylquinolin-3-yl)(piperidin-1-yl
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Mol. Formula:
C25H23ClN2O3
M.W.:
434.92
Type:
---
AlogP:
5.58
Polar Surface Area:
66.57
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5278877 Name:
N1-(4-(benzylamino)butyl)-N12-(3-(benzylamino)prop
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Mol. Formula:
C33H56N4
M.W.:
508.84
Type:
---
AlogP:
6.82
Polar Surface Area:
48.12
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4867641 Name:
4-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxo-6-pheny
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Mol. Formula:
C22H18ClN3O2
M.W.:
391.86
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
60.48
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4866825 Name:
6-(4-chlorophenyl)-4-(4-(2-chlorophenyl)piperazin-
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Mol. Formula:
C22H17Cl2N3O2
M.W.:
426.30
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
60.48
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4866054 Name:
6-(4-bromophenyl)-4-(4-(2-methoxyphenyl)piperazin-
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Mol. Formula:
C23H20BrN3O3
M.W.:
466.33
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
69.71
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4865762 Name:
4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxo-6-(thi
Show More⌵
Mol. Formula:
C21H19N3O3S
M.W.:
393.47
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
69.71
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4863721 Name:
6-(5-Bromothiophen-2-yl)-4-(4-(2-hydroxyphenyl)pip
Show More⌵
Mol. Formula:
C20H16BrN3O3S
M.W.:
458.34
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
80.71
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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