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ALA4516875 Name:
Calcium(I) 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(te
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Mol. Formula:
C21H25CaN4O7PS2
M.W.:
580.64
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
160.83
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4860067 Name:
4-(2-((1-Methylpiperidin-2-yl)methoxy)-4-(4-(vinyl
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Mol. Formula:
C26H30N6O3S2
M.W.:
538.70
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
102.66
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4859341 Name:
N-(4-Cyanophenyl)-4-(6-(4-(4-methylpiperazin-1-yl)
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Mol. Formula:
C29H30N8OS
M.W.:
538.68
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
91.63
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4858955 Name:
6-(6-Methoxypyridin-3-yl)-4-(4-(vinylsulfonyl)pipe
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Mol. Formula:
C18H19N5O3S2
M.W.:
417.52
Type:
Unknown
AlogP:
2.36
Polar Surface Area:
88.52
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4858075 Name:
N-(2-Fluorophenyl)-4-(6-(4-(4-methylpiperazin-1-yl
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Mol. Formula:
C28H30FN7OS
M.W.:
531.66
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
67.84
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4857959 Name:
6-(4-(4-Methylpiperazin-1-yl)phenyl)-2-((1-methylp
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Mol. Formula:
C34H43N7O3S2
M.W.:
661.90
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
85.35
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4856965 Name:
6-(Cyclohex-1-en-1-yl)-4-(4-(vinylsulfonyl)piperaz
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Mol. Formula:
C18H22N4O2S2
M.W.:
390.53
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
66.40
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4879073 Name:
N-(2,6-Diisopropylphenyl)-4-(6-(4-(4-methylpiperaz
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Mol. Formula:
C34H43N7OS
M.W.:
597.83
Type:
Unknown
AlogP:
6.71
Polar Surface Area:
67.84
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4878964 Name:
6-(5-Bromo-2-fluoropyridin-3-yl)-4-(4-(vinylsulfon
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Mol. Formula:
C17H15BrFN5O2S2
M.W.:
484.38
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
79.29
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4878907 Name:
N-(2-Methoxyphenyl)-4-(6-(4-(4-methylpiperazin-1-y
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Mol. Formula:
C29H33N7O2S
M.W.:
543.70
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
77.07
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4878266 Name:
6-(Quinolin-5-yl)-4-(4-(vinylsulfonyl)piperazin-1-
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Mol. Formula:
C21H19N5O2S2
M.W.:
437.55
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
79.29
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4875890 Name:
6-Phenyl-4-(4-(vinylsulfonyl)piperazin-1-yl)quinol
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Mol. Formula:
C21H21N3O2S
M.W.:
379.49
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
53.51
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4875689 Name:
4-(6-(4-(4-Methylpiperazin-1-yl)phenyl)thieno[2,3-
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Mol. Formula:
C29H30F3N7O2S
M.W.:
597.67
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
77.07
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4875668 Name:
(4-Methylpiperazin-1-yl)(4-(4-(4-(vinylsulfonyl)pi
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Mol. Formula:
C24H28N6O3S2
M.W.:
512.66
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
89.95
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4874965 Name:
4-((S)-2-Methyl-4-(vinylsulfonyl)piperazin-1-yl)-6
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Mol. Formula:
C30H41N7O3S2
M.W.:
611.84
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
85.35
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4874787 Name:
6-(4-(Trifluoromethyl)phenyl)-4-(4-(vinylsulfonyl)
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Mol. Formula:
C19H17F3N4O2S2
M.W.:
454.50
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
66.40
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4874409 Name:
4-(4-(Ethylsulfonyl)piperazin-1-yl)-6-(4-(4-methyl
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Mol. Formula:
C23H30N6O2S2
M.W.:
486.67
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
72.88
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4849886 Name:
6-(Thiophen-2-yl)-4-(4-(vinylsulfonyl)piperazin-1-
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Mol. Formula:
C16H16N4O2S3
M.W.:
392.53
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
66.40
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4849461 Name:
4-(6-(4-(4-Methylpiperazin-1-yl)phenyl)thieno[2,3-
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Mol. Formula:
C25H33N7OS
M.W.:
479.65
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
67.84
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4848735 Name:
(R)-(4-(4-(4-(Ethylsulfonyl)piperazin-1-yl)-2-((1-
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Mol. Formula:
C30H41N7O4S2
M.W.:
627.84
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
102.42
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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