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ALA3823354 Name:
rac-6-(2,5-dimethylthiophen-3-yl)-1,6-dihydropyrim
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Mol. Formula:
C10H13ClN2S
M.W.:
228.75
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
24.39
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
71.06
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3735824 Name:
5-(5-Hydroxybenzofuran-2-yl)-7-iodoquinolin-8-ol h
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Mol. Formula:
C17H11ClINO3
M.W.:
439.64
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
66.49
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3787668 Name:
7-((1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3
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Mol. Formula:
C26H33N5O2
M.W.:
447.58
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
78.43
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3786383 Name:
7-((1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3
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Mol. Formula:
C26H33N5O2
M.W.:
447.58
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
78.43
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3780839 Name:
7-epi-3'-N-de-tert-butoxycarbonyl-3'-[2-(1,1,1-tri
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Mol. Formula:
C43H50F3NO14
M.W.:
861.86
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
224.45
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3774783 Name:
rac-2-{4-Methyl-5-[(3-{1-[2-(trifluoromethyl)pheny
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Mol. Formula:
C23H26F3N7S
M.W.:
489.57
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
62.97
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3771111 Name:
(2,2-Difluoro-1,3-benzodioxol-5-yl)-methyl-N-[(S)-
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Mol. Formula:
C12H10F2N2O5
M.W.:
300.22
Type:
Small molecule
AlogP:
0.73
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3769689 Name:
(4-Propoxyphenyl)-methyl-N-[(S)-2-oxoazetidin-3-yl
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Mol. Formula:
C14H18N2O4
M.W.:
278.31
Type:
Small molecule
AlogP:
1.20
Polar Surface Area:
76.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3770896 Name:
(4-Butylphenyl)-methyl-N-[(S)-2-oxoazetidin-3-yl]-
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Mol. Formula:
C15H20N2O3
M.W.:
276.34
Type:
Small molecule
AlogP:
1.75
Polar Surface Area:
67.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3770525 Name:
(4-Cyclohexylphenyl)-methyl-N-[(S)-2-oxoazetidin-3
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Mol. Formula:
C17H22N2O3
M.W.:
302.37
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
67.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3769678 Name:
4-(4,4-Difluorocyclohexyl)-butyl-N-[(S)-2-oxoazeti
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Mol. Formula:
C14H22F2N2O3
M.W.:
304.34
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
67.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3706689 Name:
[[1-(2-Benzofuran-3-yl-acetyl)-2-methyl-azetidine-
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Mol. Formula:
C24H23ClN2O5
M.W.:
454.91
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
91.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3763674 Name:
8-(4-(Azetidin-1-ylmethyl)phenyl)-9-(4-fluoropheny
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Mol. Formula:
C26H23FN4O
M.W.:
426.50
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
61.02
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3763243 Name:
8-(4-(Azetidin-1-ylmethyl)phenyl)-9-phenyl-2,7,8,9
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Mol. Formula:
C26H24N4O
M.W.:
408.51
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
61.02
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
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