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ALA1089480 Name:
1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol
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Mol. Formula:
C18H18N8O2
M.W.:
378.40
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
113.48
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1089799 Name:
1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol
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Mol. Formula:
C17H16N8O2
M.W.:
364.37
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
113.48
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1089798 Name:
5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamin
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Mol. Formula:
C16H21N7O2
M.W.:
343.39
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
101.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1089463 Name:
5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a
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Mol. Formula:
C19H19N7O3
M.W.:
393.41
Type:
Small molecule
AlogP:
2.04
Polar Surface Area:
110.68
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1089113 Name:
5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1
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Mol. Formula:
C18H17N7O2
M.W.:
363.38
Type:
Small molecule
AlogP:
2.03
Polar Surface Area:
101.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA1089112 Name:
5-Dimethylamino-7-diphenylacetylamino-2-(2-furyl)-
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Mol. Formula:
C24H21N7O2
M.W.:
439.48
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
101.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1089441 Name:
1-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a]
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Mol. Formula:
C22H17N7O3
M.W.:
427.42
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
119.47
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1089440 Name:
N-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a]
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Mol. Formula:
C21H15N7O3
M.W.:
413.40
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
119.47
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1089439 Name:
2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,
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Mol. Formula:
C20H20N6O3
M.W.:
392.42
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
107.44
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1089438 Name:
2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-phe
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Mol. Formula:
C23H18N6O4
M.W.:
442.44
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
116.67
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1088770 Name:
2-(2-Furyl)-5-phenoxy 7-phenylacetylamino-[1,2,4]t
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Mol. Formula:
C22H16N6O3
M.W.:
412.41
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
107.44
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1092870 Name:
7-Diphenylacetylamino-2-(2-furyl)-5-phenoxy[1,2,4]
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Mol. Formula:
C28H20N6O3
M.W.:
488.51
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
107.44
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1092869 Name:
1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1
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Mol. Formula:
C17H15N7O2S
M.W.:
381.42
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
110.24
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1092868 Name:
1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1
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Mol. Formula:
C16H13N7O2S
M.W.:
367.39
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
110.24
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1092579 Name:
2-(2-Furyl)-5-methylthio-7-n-pentylcarbonylamino-[
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Mol. Formula:
C15H18N6O2S
M.W.:
346.42
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
98.21
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1090806 Name:
2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-met
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Mol. Formula:
C18H16N6O3S
M.W.:
396.43
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
107.44
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1090126 Name:
2-(2-Furyl)-5-methylthio-7-phenylacetylamino[1,2,4
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Mol. Formula:
C17H14N6O2S
M.W.:
366.41
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
98.21
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1090125 Name:
7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,
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Mol. Formula:
C23H18N6O2S
M.W.:
442.50
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
98.21
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1090124 Name:
7-Amino-5-dimethylammino-2-(2-furyl)-[1,2,4]triazo
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Mol. Formula:
C10H11N7O
M.W.:
245.25
Type:
Small molecule
AlogP:
0.43
Polar Surface Area:
98.37
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1090123 Name:
2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-
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Cas Number:
139181-27-4
Mol. Formula:
C9H8N6OS
M.W.:
248.27
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
95.13
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
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