Compounds

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ALA4213508
Name:
(R)-3-(ethoxycarbonyl)-6-ethyl-3,4-dihydro-2H-1,4-thiazine-5-carboxylic aciShow More⌵
Mol. Formula:
C10H15NO4S
M.W.:
245.30
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.96
Polar Surface Area:
75.63
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
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ALA4209124
Name:
(5R)-3, 5-dicarboxy-1-thia-4-aza-2-cyclohexene
Mol. Formula:
C6H7NO4S
M.W.:
189.19
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.30
Polar Surface Area:
86.63
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
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ALA4205389
Name:
(R)-6-isopropyl-5-phosphono-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid
Mol. Formula:
C8H14NO5PS
M.W.:
267.24
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.78
Polar Surface Area:
106.86
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
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ALA220634
Name:
9-[4-[(18)F]fluoro-3-(hydroxymethyl)butyl]guanine
Mol. Formula:
C10H14FN5O2
M.W.:
254.26
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.33
Polar Surface Area:
109.82
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
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ALA377118
Name:
9-[(3-[18F]fluoro-1-hydroxy-2-propoxy)methyl]guanine
Mol. Formula:
C9H12FN5O3
M.W.:
256.23
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.58
Polar Surface Area:
119.31
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
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ALA213308
Name:
2'-fluoro-2'-deoxy-5-[18F]fluoroethyl-1-beta-D-arabinofuranosyl uracil
Mol. Formula:
C11H14F2N2O5
M.W.:
291.24
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.36
Polar Surface Area:
104.55
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE