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ALA4513485 Name:
Phenethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate
Mol. Formula:
C20H22O5
M.W.:
342.39
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
53.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4513389 Name:
7-(2-Chlorophenyl)-5-(4-methoxyphenyl)-4,7-dihydro
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Mol. Formula:
C18H15ClN2O4S
M.W.:
390.85
Type:
Unknown
AlogP:
3.47
Polar Surface Area:
70.42
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4476735 Name:
(E)-1-(4-(2-(4-benzylpiperidin-1-yl)ethoxy)-2-hydr
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Mol. Formula:
C43H50N2O4
M.W.:
658.88
Type:
Unknown
AlogP:
7.96
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4476479 Name:
N-(1-benzylpiperidin-4-yl)-7-((1-(2,3-dichlorobenz
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Mol. Formula:
C32H29Cl2N5O4
M.W.:
618.52
Type:
Unknown
AlogP:
5.71
Polar Surface Area:
102.49
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4476091 Name:
(E)-1-(2-hydroxy-4-((6-(pyrrolidin-1-yl)hexyl)oxy)
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Mol. Formula:
C25H31NO3
M.W.:
393.53
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4476086 Name:
2-(4-(4-chlorobenzyl)piperazin-1-yl)benzo[d]oxazol
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Mol. Formula:
C18H19ClN4O
M.W.:
342.83
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
58.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4474948 Name:
(4-(5-aminobenzo[d]oxazol-2-yl)piperazin-1-yl)(3-c
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Mol. Formula:
C18H17ClN4O2
M.W.:
356.81
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
75.60
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4474824 Name:
(E)-1-(2-hydroxy-4-((6-(piperidin-1-yl)hexyl)oxy)p
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Mol. Formula:
C37H54N2O4
M.W.:
590.85
Type:
Unknown
AlogP:
8.14
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4474812 Name:
2-(4-((4-benzylpiperazin-1-yl)methyl)phenyl)benzo[
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Mol. Formula:
C25H25N3O
M.W.:
383.50
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
32.51
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4474675 Name:
2-(4-(4-fluorophenyl)piperazin-1-yl)benzo[d]oxazol
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Mol. Formula:
C17H17FN4O
M.W.:
312.35
Type:
Unknown
AlogP:
2.88
Polar Surface Area:
58.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4474289 Name:
3-(2-hydroxynicotinamido)phenyl ethyl(methyl)carba
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Mol. Formula:
C16H17N3O4
M.W.:
315.33
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
91.76
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4474224 Name:
2-(4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y
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Mol. Formula:
C18H20N10O
M.W.:
392.43
Type:
Unknown
AlogP:
0.46
Polar Surface Area:
120.23
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4540199 Name:
(E)-1-(4-(3-(diethylamino)propoxy)-2-hydroxyphenyl
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Mol. Formula:
C29H42N2O4
M.W.:
482.67
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
62.24
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4540064 Name:
7-(3-Chlorophenyl)-4-(3-fluorophenyl)-5-methyl-4,7
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Mol. Formula:
C18H14ClFN2O3S
M.W.:
392.84
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4539870 Name:
N-(4-(benzo[d]oxazol-2-yl)benzyl)-N-benzylethanami
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Mol. Formula:
C23H22N2O
M.W.:
342.44
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
29.27
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4539779 Name:
4-(4-Bromo-3-methylphenyl)-7-(2-chlorophenyl)-5-cy
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Mol. Formula:
C21H18BrClN2O3S
M.W.:
493.81
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4539519 Name:
2-Hydroxyphenethyl (E)-3-(3,4-bis(allyloxy)phenyl)
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Mol. Formula:
C23H24O5
M.W.:
380.44
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4538773 Name:
Pallidol
Mol. Formula:
C28H22O6
M.W.:
454.48
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
121.38
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4538554 Name:
3-Methyl-4-naphthalen-2-yl-1-phenyl-4,5-dihydro-1H
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Mol. Formula:
C22H18N2O3S
M.W.:
390.46
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
61.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4538208 Name:
2-(4-Benzylpiperidin-1-yl)-N-(1-benzylpyrrolidin-3
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Mol. Formula:
C25H33N3O
M.W.:
391.56
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
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