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ALA4548666 Name:
sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
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Mol. Formula:
C45H73NaO13
M.W.:
845.06
Type:
Unknown
AlogP:
7.37
Polar Surface Area:
176.51
HBA:
12
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4550418 Name:
sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
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Mol. Formula:
C46H70NNaO13
M.W.:
868.05
Type:
Unknown
AlogP:
7.04
Polar Surface Area:
193.31
HBA:
13
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4555673 Name:
sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
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Mol. Formula:
C45H74NNaO12
M.W.:
844.07
Type:
Unknown
AlogP:
6.94
Polar Surface Area:
179.31
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5094076 Name:
N-[2-(4-fluoro-1-piperidyl)pyrimidin-4-yl]-3-(4-me
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Mol. Formula:
C19H20FN5O2
M.W.:
369.40
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5093854 Name:
N-(2-morpholinopyrimidin-4-yl)-3-[4-(trifluorometh
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Mol. Formula:
C18H16F3N5O2
M.W.:
391.35
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5093441 Name:
3-(4-methoxyphenyl)-N-[2-(1-piperidyl)pyrimidin-4-
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Mol. Formula:
C19H21N5O2
M.W.:
351.41
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5093087 Name:
3-(4-methoxyphenyl)-N-(2-piperazin-1-ylpyrimidin-4
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Mol. Formula:
C18H20N6O2
M.W.:
352.40
Type:
Unknown
AlogP:
2.29
Polar Surface Area:
88.34
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5092139 Name:
3-(4-methylsulfanylphenyl)-N-(2-morpholinopyrimidi
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Mol. Formula:
C18H19N5O2S
M.W.:
369.45
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
76.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5091887 Name:
3-(3-fluoro-4-methoxy-phenyl)-N-(2-pyrrolidin-1-yl
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Mol. Formula:
C18H18FN5O2
M.W.:
355.37
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5091598 Name:
3-[4-(1,1-difluoroethyl)phenyl]-N-(2-morpholinopyr
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Mol. Formula:
C19H19F2N5O2
M.W.:
387.39
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5091564 Name:
3-(3-fluoro-4-methoxy-phenyl)-N-[2-(4-fluoro-1-pip
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Mol. Formula:
C19H19F2N5O2
M.W.:
387.39
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5091372 Name:
N-(2-morpholinopyrimidin-4-yl)-3-(p-tolyl)isoxazol
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Mol. Formula:
C18H19N5O2
M.W.:
337.38
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5091264 Name:
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]
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Mol. Formula:
C18H19N5O4S
M.W.:
401.45
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
110.45
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5091202 Name:
3-(3-methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl)
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Mol. Formula:
C18H19N5O3
M.W.:
353.38
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
85.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5091000 Name:
2-[4-[4-[[3-(4-methoxyphenyl)isoxazol-5-yl]amino]p
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Mol. Formula:
C20H24N6O3
M.W.:
396.45
Type:
Unknown
AlogP:
2.00
Polar Surface Area:
99.78
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5090921 Name:
N-(2-morpholinopyrimidin-4-yl)-3-(4-propoxyphenyl)
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Mol. Formula:
C20H23N5O3
M.W.:
381.44
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
85.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5090307 Name:
N-[2-(4-fluoro-1-piperidyl)-6-methyl-pyrimidin-4-y
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Mol. Formula:
C20H22FN5O2
M.W.:
383.43
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5089750 Name:
3-(4-benzyloxyphenyl)-N-(2-morpholinopyrimidin-4-y
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Mol. Formula:
C24H23N5O3
M.W.:
429.48
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
85.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5089424 Name:
N-(2-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl
Show More⌵
Mol. Formula:
C19H19N5O3
M.W.:
365.39
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
85.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5089373 Name:
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-
Show More⌵
Mol. Formula:
C18H19N5O2
M.W.:
337.38
Type:
Unknown
AlogP:
3.48
Polar Surface Area:
76.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
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