Compounds

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ALA458182
Name:
((R)-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidiShow More⌵
Mol. Formula:
C27H32N2O4
M.W.:
448.56

Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
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ALA465687
Name:
((3R,5R)-5-cyclohexyl-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2Show More⌵
Mol. Formula:
C33H42N2O4
M.W.:
530.71

Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
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ALA465057
Name:
((3R,5R)-5-phenyl-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,5-dShow More⌵
Mol. Formula:
C33H36N2O4
M.W.:
524.66

Type:
Small molecule
AlogP:
5.48
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA517773
Name:
((3R,5S)-5-(cyclohexylmethyl)-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-Show More⌵
Mol. Formula:
C34H44N2O4
M.W.:
544.74
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.28
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA508503
Name:
((3R,5S)-5-phenethyl-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,Show More⌵
Mol. Formula:
C35H40N2O4
M.W.:
552.72
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
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ALA508587
Name:
((3R,5S)-5-(5-(tert-butyldimethylsilyloxy)pentyl)-1-(3-phenylpropyl)piperidShow More⌵
Mol. Formula:
C38H56N2O5Si
M.W.:
648.96
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA518865
Name:
((3R,5S)-5-hexyl-1-(3-phenylpropyl)piperidin-3-yl)methyl 2-(3-methyl-2,5-diShow More⌵
Mol. Formula:
C33H44N2O4
M.W.:
532.73
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
6.28
Polar Surface Area:
66.92
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE