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ALA4091292 Name:
NA
Mol. Formula:
C61H88N14O18S
M.W.:
1337.52
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2316578 Name:
N-(2-(diethylamino)-ethyl)-18F-5-fluoropicolinamid
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Mol. Formula:
C12H18FN3O
M.W.:
238.30
Type:
Small molecule
AlogP:
1.29
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA2177505 Name:
rac-[18F]-2-Fluoro-4-(phosphonomethyl)pentanedioic
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Mol. Formula:
C6H10FO7P
M.W.:
243.11
Type:
Small molecule
AlogP:
-0.32
Polar Surface Area:
132.13
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2158562 Name:
2-[4-(2-Chloro-4,5-dimethoxy-phenyl)-5-cyano-7Hpyr
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Mol. Formula:
C19H18ClN5O3S
M.W.:
431.91
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
104.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2158561 Name:
2-[4-(2-Chloro-5-hydroxy-4-methoxy-phenyl)-5-cyano
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Mol. Formula:
C18H16ClN5O3S
M.W.:
417.88
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
115.13
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2062929 Name:
[123I]-(S)-2-(3-((S)-1-carboxy-5-(2-(4-iodo-1H-1,2
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Mol. Formula:
C16H23IN6O8
M.W.:
550.30
Type:
Small molecule
AlogP:
-0.76
Polar Surface Area:
212.84
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA2042249 Name:
4,4'-(1E,1'E)-2,2'-(6,6'-(14-([18F]2-fluoroethoxy)
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Mol. Formula:
C49H67FN4O11
M.W.:
906.09
Type:
Small molecule
AlogP:
6.85
Polar Surface Area:
151.37
HBA:
15
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
39
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA1681928 Name:
5-(1-Carbonyl-L-Trp)-2,2-dimethyl-[1,3]dithiolane-
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Mol. Formula:
C18H20N2O5S2
M.W.:
408.50
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
119.49
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA498844 Name:
4-(3-(4-[125I]Iodophenyl)-1,2,4-oxadiazol-5-yl)ani
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Mol. Formula:
C14H10IN3O
M.W.:
361.16
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
64.94
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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