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ALA4878267 Name:
4-(furan-2-yl)-N-hexyl-6-(trifluoromethyl)pyrimidi
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Mol. Formula:
C15H18F3N3O
M.W.:
313.32
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
50.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4878029 Name:
3-(((4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2
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Mol. Formula:
C16H12F3N3O2
M.W.:
335.29
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
71.18
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4877485 Name:
N-(thiophen-2-ylmethyl)-4-(p-tolyl)-6-(trifluorome
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Mol. Formula:
C17H14F3N3S
M.W.:
349.38
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4876175 Name:
3-(((4-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-y
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Mol. Formula:
C18H20F3N3O
M.W.:
351.37
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
58.04
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4875382 Name:
N-(cyclopropylmethyl)-4-(furan-2-yl)-6-(trifluorom
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Mol. Formula:
C13H12F3N3O
M.W.:
283.25
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
50.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA4874462 Name:
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidi
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Mol. Formula:
C13H14F3N3O
M.W.:
285.27
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
50.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4874076 Name:
4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
Mol. Formula:
C9H5F3N2O
M.W.:
214.15
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
38.92
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4873870 Name:
4-(((4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2
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Mol. Formula:
C16H12F3N3O2
M.W.:
335.29
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
71.18
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4872744 Name:
4-(furan-2-yl)-N-isopropyl-6-(trifluoromethyl)pyri
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Mol. Formula:
C12H12F3N3O
M.W.:
271.24
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
50.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA4871891 Name:
4-(furan-2-yl)-N-(4-methoxybenzyl)-6-(trifluoromet
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Mol. Formula:
C17H14F3N3O2
M.W.:
349.31
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
60.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4871183 Name:
N-ethyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidi
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Mol. Formula:
C11H10F3N3O
M.W.:
257.21
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
50.95
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA4870804 Name:
4-cyclohexyl-2-(methylsulfonyl)-6-(trifluoromethyl
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Mol. Formula:
C12H15F3N2O2S
M.W.:
308.33
Type:
Unknown
AlogP:
2.95
Polar Surface Area:
59.92
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4869460 Name:
4-(furan-2-yl)-N-(3-methoxybenzyl)-6-(trifluoromet
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Mol. Formula:
C17H14F3N3O2
M.W.:
349.31
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
60.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4869274 Name:
3-(((4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)am
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Mol. Formula:
C18H14F3N3O
M.W.:
345.32
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
58.04
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5286649 Name:
3-(butylthio)quinolin-2-amine
Mol. Formula:
C13H16N2S
M.W.:
232.35
Type:
---
AlogP:
3.71
Polar Surface Area:
38.91
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5285458 Name:
Mol. Formula:
C17H17N5O4
M.W.:
355.35
Type:
---
AlogP:
1.85
Polar Surface Area:
117.54
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5285197 Name:
N5-butyl-6-((2-methoxybenzyl)oxy)-1,2,4-triazine-3
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Mol. Formula:
C15H21N5O2
M.W.:
303.37
Type:
---
AlogP:
2.25
Polar Surface Area:
95.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5284395 Name:
(S)-3-(2-methylbutoxy)quinolin-2-amine
Mol. Formula:
C14H18N2O
M.W.:
230.31
Type:
---
AlogP:
3.24
Polar Surface Area:
48.14
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5283757 Name:
3-(pent-1-yn-1-yl)quinolin-2-amine
Mol. Formula:
C14H14N2
M.W.:
210.28
Type:
---
AlogP:
2.97
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA5283490 Name:
N-(2-propylthiazolo[4,5-c]quinolin-4-yl)pent-4-yna
Show More⌵
Mol. Formula:
C18H17N3OS
M.W.:
323.42
Type:
---
AlogP:
4.15
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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