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ALA4569682 Name:
3,3'-[4,4'-(Tricyclo[3.3.1.1(3,7)]decan-2,2-diyl)b
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Mol. Formula:
C38H56N4O4
M.W.:
632.89
Type:
Unknown
AlogP:
3.40
Polar Surface Area:
71.88
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4744436 Name:
Ethyl 4-(4-(1-(3,4-dimethylphenyl)-4-oxo-4,5-dihyd
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Mol. Formula:
C25H26N4O4
M.W.:
446.51
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4744043 Name:
Ethyl 2-(4-(1-(4-methoxyphenyl)-4-oxo-4,5-dihydro-
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Mol. Formula:
C22H20N4O5
M.W.:
420.43
Type:
Unknown
AlogP:
2.73
Polar Surface Area:
108.33
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4743098 Name:
Ethyl 2-(4-(1-(2,4-difluorophenyl)-4-oxo-4,5-dihyd
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Mol. Formula:
C21H16F2N4O4
M.W.:
426.38
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4743037 Name:
N-methyl-2-(2-nitro-1H-imidazol-1-yl)-N-(4-(triflu
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Mol. Formula:
C13H11F3N4O3
M.W.:
328.25
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
81.27
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4765044 Name:
Ethyl 2-(4-(1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1
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Mol. Formula:
C22H19FN4O4
M.W.:
422.42
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4763796 Name:
Ethyl 2-(4-(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo
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Mol. Formula:
C21H18N4O4
M.W.:
390.40
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4763010 Name:
Ethyl 2-(4-(1-(4-methoxyphenyl)-4-oxo-4,5-dihydro-
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Mol. Formula:
C23H22N4O5
M.W.:
434.45
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
108.33
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4762211 Name:
Ethyl 4-(4-(1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1
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Mol. Formula:
C23H21FN4O4
M.W.:
436.44
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4761773 Name:
Ethyl 2-(4-(1-(4-methoxyphenyl)-4-oxo-4,5-dihydro-
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Mol. Formula:
C24H24N4O5
M.W.:
448.48
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
108.33
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4760213 Name:
Ethyl 2-(4-(1-(2,4-difluorophenyl)-4-oxo-4,5-dihyd
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Mol. Formula:
C23H20F2N4O4
M.W.:
454.43
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4757323 Name:
Ethyl 2-(4-(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo
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Mol. Formula:
C22H20N4O4
M.W.:
404.43
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4755856 Name:
N-methyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-(t
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Mol. Formula:
C12H10F3N5O3
M.W.:
329.24
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
94.16
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4780120 Name:
Ethyl 2-(4-(1-(3,4-dimethylphenyl)-4-oxo-4,5-dihyd
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Mol. Formula:
C24H24N4O4
M.W.:
432.48
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4778593 Name:
Ethyl 4-(4-(1-(4-methoxyphenyl)-4-oxo-4,5-dihydro-
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Mol. Formula:
C24H24N4O5
M.W.:
448.48
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
108.33
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4784937 Name:
Ethyl 2-(4-(1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1
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Mol. Formula:
C23H21FN4O4
M.W.:
436.44
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4782112 Name:
Ethyl 2-(4-(1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1
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Mol. Formula:
C21H17FN4O4
M.W.:
408.39
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4751733 Name:
Ethyl 2-(4-(1-(4-fluorophenyl)-5-methyl-4-oxo-4,5-
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Mol. Formula:
C23H21FN4O4
M.W.:
436.44
Type:
Unknown
AlogP:
3.26
Polar Surface Area:
88.24
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4795041 Name:
Ethyl 2-(4-(1-(3,4-dimethylphenyl)-4-oxo-4,5-dihyd
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Mol. Formula:
C23H22N4O4
M.W.:
418.45
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
99.10
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4859525 Name:
Beauveamide G
Mol. Formula:
C35H49N3O7
M.W.:
623.79
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
154.06
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
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