Compounds

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ALA3326042
Name:
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-7-(piShow More⌵
Mol. Formula:
C20H27NO9
M.W.:
425.43
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
-0.21
Polar Surface Area:
149.15
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
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ALA3326041
Name:
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-7-(moShow More⌵
Mol. Formula:
C19H25NO10
M.W.:
427.41
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.37
Polar Surface Area:
158.38
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
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ALA3326040
Name:
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-7-(((S)-2-(hydrShow More⌵
Mol. Formula:
C20H27NO10
M.W.:
441.43
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.24
Polar Surface Area:
169.38
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
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ALA514407
Name:
2-methoxy-3,5-dimethyl-6-((1R,3'S,5'R,6S,8R)-1,3,5-trimethyl-8-(4-nitrophenShow More⌵
Mol. Formula:
C28H31NO6
M.W.:
477.56
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
91.81
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE