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ALA4879317 Name:
5-(4-(Tert-butyl)phenyl)-1-(4-(pyridin-4-yl)benzyl
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Mol. Formula:
C30H28N2
M.W.:
416.57
Type:
Unknown
AlogP:
7.72
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4879233 Name:
N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
Mol. Formula:
C15H19N3O
M.W.:
257.34
Type:
Unknown
AlogP:
1.90
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
ALA4879182 Name:
(4-(5-(Piperidin-4-ylmethoxy)-3-(1H-1,2,3-triazol-
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Mol. Formula:
C19H23N7O
M.W.:
365.44
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
103.77
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4878893 Name:
6-(4-Fluorophenyl)-N-(piperidin-4-ylmethyl)-1H-ind
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Mol. Formula:
C21H22FN3O
M.W.:
351.43
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4878840 Name:
(4-(3-(4-(Furan-3-yl)phenyl)-6-(2-(piperazin-1-yl)
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Mol. Formula:
C27H29N5O2
M.W.:
455.56
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
89.44
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4878816 Name:
(4-(5-(Benzyloxy)-3-(4-(furan-3-yl)phenyl)pyrazin-
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Mol. Formula:
C28H23N3O2
M.W.:
433.51
Type:
Unknown
AlogP:
6.11
Polar Surface Area:
74.17
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4878457 Name:
(4-(3-(4-(1H-1,2,3-Triazol-1-yl)phenyl)-5-(piperid
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Mol. Formula:
C25H27N7O
M.W.:
441.54
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
103.77
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4878362 Name:
(S)-1-(6,7-Dihydroxy-2-naphthoyl)-N-phenylpyrrolid
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Mol. Formula:
C22H20N2O4
M.W.:
376.41
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4878235 Name:
((5-(2-(Piperazin-1-yl)ethoxy)pyrazine-2,3-diyl)bi
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Mol. Formula:
C24H30N6O
M.W.:
418.55
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
102.32
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4878194 Name:
5-(2,4-difluorophenyl)-N-(piperidin-4-ylmethyl)-1H
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Mol. Formula:
C21H21F2N3O
M.W.:
369.42
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4877937 Name:
N-(5,6-Dihydroxybenzo[d]thiazol-2-yl)-2,2-bis-(4-c
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Mol. Formula:
C21H14Cl2N2O3S
M.W.:
445.33
Type:
Unknown
AlogP:
5.78
Polar Surface Area:
82.45
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4877513 Name:
6-Hydroxy-N-phenylbenzofuran-2-carboxamide
Mol. Formula:
C15H11NO3
M.W.:
253.26
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
62.47
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4877369 Name:
(S)-N-(1-(5,6-dihydroxybenzo[d]thiazol-2-ylamino)-
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Mol. Formula:
C23H19N3O5S
M.W.:
449.49
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
131.78
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4877173 Name:
(S)-3-(Benzylthio)-N-(5,6-dihydroxybenzo[d]thiazol
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Mol. Formula:
C24H23N3O5S3
M.W.:
529.67
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
128.62
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4877029 Name:
(4-(3-(1H-Benzo[d]imidazol-6-yl)-5-(piperidin-4-yl
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Mol. Formula:
C24H26N6O
M.W.:
414.51
Type:
Unknown
AlogP:
3.52
Polar Surface Area:
101.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4876540 Name:
6-(4-Cyanophenyl)-N-(piperidin-4-yl)benzofuran-3-c
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Mol. Formula:
C21H19N3O2
M.W.:
345.40
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
78.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4876027 Name:
6-(4-(tert-butyl)phenyl)-N-(piperidin-4-ylmethyl)-
Show More⌵
Mol. Formula:
C25H31N3O
M.W.:
389.54
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4875563 Name:
(S)-1-(5,6-dihydroxybenzofuran-2-carbonyl)-N-pheny
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Mol. Formula:
C20H18N2O5
M.W.:
366.37
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
103.01
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4875360 Name:
N-(piperidin-4-ylmethyl)-6-(p-tolyl)-1H-indole-3-c
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Mol. Formula:
C22H25N3O
M.W.:
347.46
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
56.92
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4875019 Name:
(4-(5-(Piperidin-4-ylmethoxy)-3-(3-(tetrahydrofura
Show More⌵
Mol. Formula:
C27H32N4O2
M.W.:
444.58
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
82.29
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
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