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ALA4514727 Name:
2-(4-(3-Hydroxyphenyl)-1H-1,2,3-triazol-1-yl)-N-(5
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Mol. Formula:
C26H25N9O3S2
M.W.:
575.68
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
160.70
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4513560 Name:
2-Phenyl-N-(5-(4-(5-(2-(4-(pyridin-2-yl)-1H-1,2,3-
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Mol. Formula:
C25H24N10O2S2
M.W.:
560.67
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
153.36
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4476832 Name:
(R)-2-methoxy-2-(3-methoxy-5-(trifluoromethoxy)phe
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Mol. Formula:
C21H22F3N7O4S
M.W.:
525.51
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
123.62
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4476215 Name:
N,N'-(5,5'-(butane-1,4-diyl)bis(1,3,4-thiadiazole-
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Mol. Formula:
C30H32N6O4S2
M.W.:
604.76
Type:
Unknown
AlogP:
5.94
Polar Surface Area:
143.90
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4475576 Name:
2-Phenyl-N-(5-(4-(5-(2-(4-(p-tolyl)-1H-1,2,3-triaz
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Mol. Formula:
C27H27N9O2S2
M.W.:
573.71
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
140.47
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4539656 Name:
N-benzyl-1-(4-(4-((6-(trifluoromethyl)pyridin-2-yl
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Mol. Formula:
C24H24F3N9O2
M.W.:
527.51
Type:
Unknown
AlogP:
2.62
Polar Surface Area:
132.51
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4538736 Name:
2-(pyridin-2-yl)-N-(5-((1S,3R)-3-((6-(2-(3-(triflu
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Mol. Formula:
C28H26F3N7O3S
M.W.:
597.62
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
131.88
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4535848 Name:
N,N'-(5,5'-(cycloheptane-1,3-diyl)bis(1,3,4-thiadi
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Mol. Formula:
C25H26N8O2S2
M.W.:
534.67
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
135.54
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4534887 Name:
N-(2-oxo-1-(4-(5-(2-phenylacetamido)-1,3,4-thiadia
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Mol. Formula:
C27H27N5O3S
M.W.:
501.61
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
105.98
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4534437 Name:
(R)-5-((1-(1,2,4-Triazin-3-yl)pyrrolidin-3-yl)amin
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Mol. Formula:
C17H18N8OS
M.W.:
382.45
Type:
Unknown
AlogP:
1.34
Polar Surface Area:
108.82
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4533926 Name:
trans-N,N'-(6,6'-((1S,3S)-cyclohexane-1,3-diyl)bis
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Mol. Formula:
C28H28N8O2
M.W.:
508.59
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
135.54
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4532984 Name:
rac-trans-N,N'-(5,5'-cyclopropane-1,2-diylbis(meth
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Mol. Formula:
C23H22N8O2S2
M.W.:
506.62
Type:
Unknown
AlogP:
2.96
Polar Surface Area:
135.54
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4530893 Name:
1-(3-fluoro-4-(2-oxo-4-(2-phenylacetamido)pyridin-
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Mol. Formula:
C28H26F4N6O4
M.W.:
586.55
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
120.14
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4560800 Name:
N,N'-(5,5'-(butane-1,4-diyl)bis(1,3,4-thiadiazole-
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Mol. Formula:
C28H32N6O6S2
M.W.:
612.73
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
168.68
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4557531 Name:
(S)-2-methoxy-2-(3-methoxy-5-(trifluoromethoxy)phe
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Mol. Formula:
C21H22F3N7O4S
M.W.:
525.51
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
123.62
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4556025 Name:
N,N'-(5,5'-((1R,3R)-cyclopentane-1,3-diyl)bis(1,3,
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Mol. Formula:
C23H22N8O2S2
M.W.:
506.62
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
135.54
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4555453 Name:
rac-trans-N,N'-(5,5'-cyclopropane-1,2-diylbis(meth
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Mol. Formula:
C25H24N6O2S2
M.W.:
504.64
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
109.76
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4555100 Name:
trans-N,N'-(5,5'-((1S,3S)-cyclohexane-1,3-diyl)bis
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Mol. Formula:
C24H24N8O2S2
M.W.:
520.64
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
135.54
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4554275 Name:
3-(1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl)-N-(6
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Mol. Formula:
C30H32N10O3S
M.W.:
612.72
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
162.59
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4570299 Name:
(R)-N-(5-((1-(1,3,4-Thiadiazol-2-yl)pyrrolidin-3-y
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Mol. Formula:
C16H17N7OS2
M.W.:
387.49
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
95.93
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
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