Compounds

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ALA3542369
Name:
[14C]-(R)-4-fluoro-5-(6-(2-hydroxypropoxy)-5-methylpyrrolo[1,2-f][1,2,4]triShow More⌵
Mol. Formula:
C19H17FN4O5
M.W.:
402.36
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
121.97
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3542356
Name:
[14C]-(R)-1-(4-(4-fluoro-2-(hydroxymethyl)-1H-indol-5-yloxy)-5-methylpyrrolShow More⌵
Mol. Formula:
C19H19FN4O4
M.W.:
388.38
7 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
104.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3542332
Name:
(1R,2S,5S)-N-((2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-((SShow More⌵
Mol. Formula:
C27H47N5O5
M.W.:
521.70
47 activity values
15 unique targets
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
153.86
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3542272
Name:
[14C]-(1R,2S,5S)-N-((R)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-Show More⌵
Mol. Formula:
C27H45N5O5
M.W.:
519.69
22 activity values
12 unique targets
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
150.70
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3542263
Name:
(S)-6-hydroxy-6-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pShow More⌵
Mol. Formula:
C36H60O9
M.W.:
636.87
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
156.91
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3542247
Name:
(1R,2S,5S)-N-((2R,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-((SShow More⌵
Mol. Formula:
C27H47N5O5
M.W.:
521.70
9 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
153.86
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA1233448
Name:
(1R,2S,5S)-N-((S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-terShow More⌵
Mol. Formula:
C27H45N5O5
M.W.:
519.69
27 activity values
15 unique targets
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
150.70
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE