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ALA5291161 Name:
(2R,3S,4S,5R)-2-(hydroxymethyl)-1-(5-(neopentyloxy
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Mol. Formula:
C16H33NO5
M.W.:
319.44
Type:
---
AlogP:
-0.02
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5269107 Name:
(2S,3S,4S,5R)-2-(hydroxymethyl)-1-(5-(neopentyloxy
Show More⌵
Mol. Formula:
C16H33NO5
M.W.:
319.44
Type:
---
AlogP:
-0.02
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4577406 Name:
rac-N-nonyloxypentyl Deoxynojirimycin
Mol. Formula:
C20H41NO5
M.W.:
375.55
Type:
Unknown
AlogP:
1.68
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4559665 Name:
rac-Adamantanemethoxypentyl Deoxynojirimycin
Mol. Formula:
C22H39NO5
M.W.:
397.56
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4460711 Name:
L-N-nonyl Deoxynojirimycin
Mol. Formula:
C15H31NO4
M.W.:
289.42
Type:
Unknown
AlogP:
0.50
Polar Surface Area:
84.16
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4459494 Name:
L-N-[5-(Nonyloxy)pentyl]Deoxynojirimycin
Mol. Formula:
C20H41NO5
M.W.:
375.55
Type:
Unknown
AlogP:
1.68
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4459011 Name:
rac-N-hexyloxypentyl Deoxynojirimycin
Mol. Formula:
C17H35NO5
M.W.:
333.47
Type:
Unknown
AlogP:
0.51
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4435540 Name:
L-N-[5-(Hexoxy)pentyl]-Deoxynojirimycin
Mol. Formula:
C17H35NO5
M.W.:
333.47
Type:
Unknown
AlogP:
0.51
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4435506 Name:
L-N-Adamantanemethoxypentyl-Deoxynojirimycin
Mol. Formula:
C22H39NO5
M.W.:
397.56
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3220377 Name:
N-(Adamantanyl)-4-(((1S,2S,3R,4S,5S,6S)-2,3,4,5,6-
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Mol. Formula:
C20H34N2O6
M.W.:
398.50
Type:
Small molecule
AlogP:
-1.37
Polar Surface Area:
142.28
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3220376 Name:
N-Adamantan-1-yl-4-(2S,3R,5S,6R)-2,3,4,5,6-pentahy
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Mol. Formula:
C20H34N2O6
M.W.:
398.50
Type:
Small molecule
AlogP:
-1.37
Polar Surface Area:
142.28
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA2333308 Name:
(3S,4R,5R)-5-(hexyloxy)piperidine-3,4-diol
Mol. Formula:
C11H23NO3
M.W.:
217.31
Type:
Small molecule
AlogP:
0.28
Polar Surface Area:
61.72
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2332874 Name:
(-)-2-(3-phenylpropylimino)octahydro-1H-benzo[d]im
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Mol. Formula:
C16H23N3O4
M.W.:
321.38
Type:
Small molecule
AlogP:
-1.64
Polar Surface Area:
117.34
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2332873 Name:
(-)-2-(nonylimino)octahydro-1H-benzo[d]imidazole-4
Show More⌵
Mol. Formula:
C16H31N3O4
M.W.:
329.44
Type:
Small molecule
AlogP:
-0.52
Polar Surface Area:
117.34
HBA:
5
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2332872 Name:
(+)-2-(nonylimino)octahydrobenzo[d]oxazole-4,5,6,7
Show More⌵
Mol. Formula:
C16H30N2O5
M.W.:
330.43
Type:
Small molecule
AlogP:
-0.09
Polar Surface Area:
114.54
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1234952 Name:
N-Octylvalienamine
Mol. Formula:
C15H29NO4
M.W.:
287.40
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
92.95
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.67
Polar Surface Area:
84.16
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA485840 Name:
N-carboxynonyldeoxynojirimycin
Mol. Formula:
C16H31NO6
M.W.:
333.43
Type:
Small molecule
AlogP:
0.63
Polar Surface Area:
110.46
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.15
Polar Surface Area:
93.39
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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