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ALA5280849 Name:
2-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-(4-flu
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Mol. Formula:
C14H9F4N5O4S
M.W.:
419.32
Type:
---
AlogP:
3.97
Polar Surface Area:
122.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1160686 Name:
cyclohexanaminium hydrogen [(3-methylbutyl)amino]c
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Mol. Formula:
C12H27N2O4P
M.W.:
294.33
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160685 Name:
cyclohexanaminium hydrogen (isobutylamino)carbonyl
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Mol. Formula:
C11H25N2O4P
M.W.:
280.31
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160092 Name:
2-{2-[Bis-(2-chloro-ethyl)-amino]-3-methyl-2-oxo-2
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Mol. Formula:
C10H21Cl2N2O5PS2
M.W.:
415.30
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
87.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4791305 Name:
1-(2-((2-(piperazin-1-yl)ethyl)amino)benzyl)-5-(tr
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Mol. Formula:
C19H23F3N4O
M.W.:
380.41
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
49.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4548709 Name:
2-(4-((9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1
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Mol. Formula:
C24H19BrN4O2
M.W.:
475.35
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
61.94
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4546309 Name:
N-(2,6-Dichlorophenyl)-4-methyl-3-nitrobenzamide
Mol. Formula:
C14H10Cl2N2O3
M.W.:
325.15
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
72.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4550154 Name:
2-(4-((9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1
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Mol. Formula:
C23H18N4O
M.W.:
366.42
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
52.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4776146 Name:
1-(2-chloro-4-((2-morpholinoethyl)amino)phenyl)-5-
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Mol. Formula:
C18H19ClF3N3O2
M.W.:
401.82
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
46.50
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5270782 Name:
Plagiochiline I
Mol. Formula:
C17H24O5
M.W.:
308.37
Type:
---
AlogP:
1.85
Polar Surface Area:
68.29
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5268659 Name:
(3aR,4R,5S,5aR,10bR)-3a-hydroxy-N,8,10-trimethoxy-
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Mol. Formula:
C31H33N3O7
M.W.:
559.62
Type:
---
AlogP:
3.34
Polar Surface Area:
111.08
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5209223 Name:
2-(3-Fluorophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropy
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Mol. Formula:
C19H15FN2O2
M.W.:
322.34
Type:
---
AlogP:
3.16
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5208915 Name:
N-(6-oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(o-to
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Mol. Formula:
C20H18N2O2
M.W.:
318.38
Type:
---
AlogP:
3.33
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5207973 Name:
5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{3
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Mol. Formula:
C30H38F2N6O3
M.W.:
568.67
Type:
---
AlogP:
4.62
Polar Surface Area:
75.22
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5206671 Name:
2-(2-Chlorophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropy
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Mol. Formula:
C19H15ClN2O2
M.W.:
338.79
Type:
---
AlogP:
3.67
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5206147 Name:
5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{3
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Mol. Formula:
C29H35F3N6O3
M.W.:
572.63
Type:
---
AlogP:
4.45
Polar Surface Area:
75.22
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5204767 Name:
2-(3-Bromophenyl)-N-(6-oxo-1-phenyl-1,6-dihydropyr
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Mol. Formula:
C19H15BrN2O2
M.W.:
383.25
Type:
---
AlogP:
3.78
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5203110 Name:
N-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(2,4,
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Mol. Formula:
C19H13F3N2O2
M.W.:
358.32
Type:
---
AlogP:
3.44
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5201061 Name:
5-[(2,6-Difluoro-3,5-dimethoxyphenyl)methoxy]-N-{1
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Mol. Formula:
C22H30Cl3F2N7O3
M.W.:
584.88
Type:
---
AlogP:
2.20
Polar Surface Area:
98.59
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5200755 Name:
N-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-yl)-2-(p-to
Show More⌵
Mol. Formula:
C20H18N2O2
M.W.:
318.38
Type:
---
AlogP:
3.33
Polar Surface Area:
51.10
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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