Compounds

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ALA2413451
Name:
1-[11C]-2a-(5-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)pentyl)-1-methyl-2aShow More⌵
Mol. Formula:
C24H30N2OS
M.W.:
393.58
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
23.55
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2204351
Name:
[11C]-(2S)-2-[(2-Chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,Show More⌵
Mol. Formula:
C22H26ClFN2O2S
M.W.:
435.98
22 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
41.57
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA2204350
Name:
[11C]-(2S)-2-[(2-Fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,Show More⌵
Mol. Formula:
C25H32F2N2O2S
M.W.:
461.61
22 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
32.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2203396
Name:
[18F]-5-Fluoro-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyrShow More⌵
Mol. Formula:
C14H9FN4O
M.W.:
267.25
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
56.74
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1090643
Name:
(7S,9E,11S,12R,13S,14R,15R,16R,17S,19E,21Z)-2,15,17,27-tetrahydroxy-11-methShow More⌵
Mol. Formula:
C43H58N4O11
M.W.:
808.95
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
199.92
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA388810
Name:
3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile
Mol. Formula:
C13H6F2N2S
M.W.:
259.27
12 activity values
8 unique targets
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
36.68
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE