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ALA4513930 Name:
(+/-)-1-ethyl-2-methyl-2,3-dihydro-1H-benzo[f]chro
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Mol. Formula:
C16H19NO
M.W.:
241.33
Type:
Unknown
AlogP:
3.44
Polar Surface Area:
35.25
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4513458 Name:
N-{5-[5-Methoxy-1-(naphthalene-1-sulfonyl)-1H-indo
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Mol. Formula:
C26H24N4O4S
M.W.:
488.57
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
106.08
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4483687 Name:
2-[4-(4-Benzylpiperidin-1-yl)butyl][1]benzothieno[
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Mol. Formula:
C26H29N3OS
M.W.:
431.61
Type:
Unknown
AlogP:
5.42
Polar Surface Area:
48.99
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4483304 Name:
N-{5-[1-(Benzenesulfonyl)-1H-indol-6-yl]-4-methyl-
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Mol. Formula:
C21H20N4O3S
M.W.:
408.48
Type:
Unknown
AlogP:
3.93
Polar Surface Area:
96.85
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4476520 Name:
3-(1-Ethyl-1H-imidazol-5-yl)-5-(trifluoromethoxy)-
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Mol. Formula:
C14H12F3N3O
M.W.:
295.26
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
42.84
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4476396 Name:
(+/-)-3a,8-dimethyl-5-p-tolyl-2,3,3a,4,5,9b-hexahy
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Mol. Formula:
C20H24N2
M.W.:
292.43
Type:
Unknown
AlogP:
4.29
Polar Surface Area:
15.27
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4476372 Name:
5-Chloro-3-(1-ethyl-1H-imidazol-5-yl)-4-fluoro-1H-
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Mol. Formula:
C13H11ClFN3
M.W.:
263.70
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
33.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4476294 Name:
3-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1
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Mol. Formula:
C22H23FN4S
M.W.:
394.52
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
35.16
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4476164 Name:
2-[4-[3-(1H-indol-3-yl)-1-piperidyl]butyl]-4-pheny
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Mol. Formula:
C31H36N4O2
M.W.:
496.66
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
63.03
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4475894 Name:
2-[[3-(4-Phenylpiperazin-1-yl)propyl]sulfanyl][1]b
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Mol. Formula:
C23H24N4OS2
M.W.:
436.61
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
52.23
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4475730 Name:
4-(4-chlorophenyl)-2-[4-[3-(5-methoxy-1H-indol-3-y
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Mol. Formula:
C32H37ClN4O3
M.W.:
561.13
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
72.26
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4474829 Name:
N-(4-methyl-5-(1-(naphthalen-1-ylsulfonyl)-1H-indo
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Mol. Formula:
C25H22N4O3S
M.W.:
458.54
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
96.85
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4537701 Name:
N-(5-(5-fluoro-1-(phenylsulfonyl)-1H-indol-3-yl)-4
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Mol. Formula:
C21H19FN4O3S
M.W.:
426.47
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
96.85
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4524906 Name:
1-{3-[1-(Benzenesulfonyl)-1H-indol-3-yl]-2-methyl-
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Mol. Formula:
C23H22N4O3S
M.W.:
434.52
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
77.20
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4521199 Name:
N-(5-(1-(3-fluorophenylsulfonyl)-5-methoxy-1H-indo
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Mol. Formula:
C21H19FN4O4S
M.W.:
442.47
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
106.08
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4520003 Name:
N-benzyl-5-(5-methoxy-1-(phenylsulfonyl)-1H-indol-
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Mol. Formula:
C26H24N4O3S
M.W.:
472.57
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
89.01
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4534493 Name:
N-octyl-3-(3,4,5-trimethoxyphenyl)acrylamide
Mol. Formula:
C20H31NO4
M.W.:
349.47
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
56.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4533362 Name:
2-[4-[3-(5-fluoro-1H-indol-3-yl)-1-piperidyl]butyl
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Mol. Formula:
C32H37FN4O3
M.W.:
544.67
Type:
Unknown
AlogP:
5.30
Polar Surface Area:
72.26
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4532185 Name:
Uncarialin D
Mol. Formula:
C22H26N2O5
M.W.:
398.46
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
77.10
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4531898 Name:
5-chloro-3-(1-ethyl-1H-imidazol-5-yl)-6-fluoro-1H-
Show More⌵
Mol. Formula:
C13H11ClFN3
M.W.:
263.70
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
33.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
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