Compounds

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ALA514331
Name:
(1R,5R,3''R,4''S,5''S)-5''-(2''-Oxo-hexahydro-thie
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Mol. Formula:
C27H44N4O6S
M.W.:
552.74

10 activity values

2 unique targets
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
149.16
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
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ALA503343
Name:
(1R,5R)-(7''-Diethylamino-2''-oxo-2''H-chromen-3''
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Mol. Formula:
C31H43N3O8
M.W.:
585.70

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
150.71
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.10
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ALA478290
Name:
(1R,5R)-1-dodecanoyl-4-hydroxy-4-methyl-6-oxa-3-az
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Mol. Formula:
C17H29NO4
M.W.:
311.42

8 activity values

2 unique targets
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
78.93
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
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