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ALA4514231 Name:
N-(tert-Butyl)-8-(4-chlorophenyl)-3-(2-morpholinoe
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Mol. Formula:
C23H28ClN7O
M.W.:
453.98
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
72.51
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4475806 Name:
(E)-2-((2-Chloro-1-cinnamyl-1H-indol-3-yl)methylen
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Mol. Formula:
C19H19Cl2N5
M.W.:
388.30
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
79.19
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4474788 Name:
N-(tert-Butyl)-3-(3-(dimethylamino)propyl)-8-(2-fl
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Mol. Formula:
C22H28FN7
M.W.:
409.51
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
63.28
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4474200 Name:
(E)-2-((7-Amino-2-phenylimidazo[1,2-a]pyrimidin-3-
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Mol. Formula:
C14H15ClN8
M.W.:
330.78
Type:
Unknown
AlogP:
0.80
Polar Surface Area:
130.47
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4535658 Name:
2-((E)-3-(((E)-5-Hydroxy-6-methyl-2-oxoindolin-3-y
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Mol. Formula:
C18H18ClN5O2
M.W.:
371.83
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
123.59
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4532375 Name:
N-(tert-Butyl)-8-(2-(2-morpholinoethoxy)phenyl)-3-
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Mol. Formula:
C29H40N8O3
M.W.:
548.69
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
94.21
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4570106 Name:
N-tert-butyl-8-[4-(dimethylamino)phenyl]-3-(2-morp
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Mol. Formula:
C25H34N8O
M.W.:
462.60
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
75.75
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4569703 Name:
2,7-bis(3-(dimethylamino)propyl)-4-(3-(4-(2-((2R,3
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Mol. Formula:
C37H50N8O10
M.W.:
766.85
Type:
Unknown
AlogP:
-0.61
Polar Surface Area:
223.36
HBA:
16
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4517447 Name:
5-Chloro-3-((E)-3-((E)-(2-(4,5-dihydro-1H-imidazol
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Mol. Formula:
C19H17Cl2N5O
M.W.:
402.29
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
77.88
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4548793 Name:
5-(4-N-Tetradecylpyridyl)-10,15,20-tris(4-N-methyl
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Mol. Formula:
C57H64I4N8
M.W.:
1368.81
Type:
Unknown
AlogP:
11.79
Polar Surface Area:
72.88
HBA:
2
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4548133 Name:
3-((E)-3-((E)-(2-(4,5-Dihydro-1H-imidazol-2-yl)hyd
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Mol. Formula:
C23H20ClN5O
M.W.:
417.90
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
77.88
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4744803 Name:
2-(2-(9-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-9H-ca
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Mol. Formula:
C31H33IN2O3
M.W.:
608.52
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
36.50
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4742038 Name:
2-(2-(9-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-9H-ca
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Mol. Formula:
C27H31IN2O3
M.W.:
558.46
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
36.50
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4764540 Name:
3,8a-di(pyridin-2-yl)indolizin-1(8aH)-one
Mol. Formula:
C18H13N3O
M.W.:
287.32
Type:
Unknown
AlogP:
2.68
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4764525 Name:
(E)-N-(1,3-benzodioxol-5-ylmethyl)-1-[10-[(E)-1,3-
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Mol. Formula:
C32H24N2O4
M.W.:
500.55
Type:
Unknown
AlogP:
6.69
Polar Surface Area:
61.64
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4763373 Name:
3-(naphthalen-2-yl)-8a-(pyridin-2-yl)indolizin-1(8
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Mol. Formula:
C23H16N2O
M.W.:
336.39
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
33.20
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4761998 Name:
4-(2-(9-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-9H-ca
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Mol. Formula:
C26H29IN2O3
M.W.:
544.43
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
45.51
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4757314 Name:
4,4'-((2-(4-(4-(4-fluorophenyl)-5-(4-(4-methylpipe
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Mol. Formula:
C51H55FN10
M.W.:
827.07
Type:
Unknown
AlogP:
8.53
Polar Surface Area:
76.80
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4780079 Name:
N,N-(((9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)
Show More⌵
Mol. Formula:
C58H68Cl2N14O9
M.W.:
1176.18
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4780044 Name:
(E)-N-(5-methylthiazol-2-yl)-1-[10-[(E)-(5-methylt
Show More⌵
Mol. Formula:
C24H18N4S2
M.W.:
426.57
Type:
Unknown
AlogP:
7.02
Polar Surface Area:
50.50
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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