Compounds

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ALA4873586
Name:
(2S,3R,4S,5S,6R)-2-(((1R,2R,3S,4R,6S)-4,6-diamino-
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Mol. Formula:
C19H37N3O12
M.W.:
499.51

4 activity values

3 unique targets
Type:
Unknown
AlogP:
-6.87
Polar Surface Area:
276.82
HBA:
15
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
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ALA5272854
Name:
(2S,4R)-1-((S)-2-(2-(4-(2-(2-((2S,6R)-4-(4-((5-(3,
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Mol. Formula:
C61H76N10O9S
M.W.:
1125.41

Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
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ALA2430844
Name:
1-benzyltricycle [3.3.1.13,7]decan-2-(2-dimethylam
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Mol. Formula:
C25H36N2O4
M.W.:
428.57

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
15.27
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
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ALA1834285
Name:
(R)-3-((R)-13-hydroxy-13-((2R,5R)-5-((R)-1-hydroxy
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Mol. Formula:
C35H61F3O5
M.W.:
618.86

40 activity values

36 unique targets
Type:
Small molecule
AlogP:
9.66
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
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ALA1834283
Name:
(R)-5-(fluoromethyl)-3-((R)-13-hydroxy-13-((2R,5R)
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Mol. Formula:
C35H63FO5
M.W.:
582.88

40 activity values

36 unique targets
Type:
Small molecule
AlogP:
9.07
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE