Compounds

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ALA2238229
Name:
N-(3-((E)-3-(3-bromo-2,4,6-trimethoxyphenyl)acryloyl)phenyl)-4-methoxybenzaShow More⌵
Mol. Formula:
C26H24BrNO6
M.W.:
526.38
15 activity values
12 unique targets
Type:
Small molecule
AlogP:
5.63
Polar Surface Area:
83.09
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
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ALA2088778
Name:
6-(nitrooxy)hexyl 3-(3-methoxy-4-(6-(nitrooxy)hexyloxy)phenyl)acrylate
Mol. Formula:
C22H32N2O10
M.W.:
484.50
14 activity values
11 unique targets
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
149.50
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
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ALA2088775
Name:
3-(nitrooxy)propyl 3-(3-methoxy-4-(3-(nitrooxy)propoxy)phenyl)acrylate
Mol. Formula:
C16H20N2O10
M.W.:
400.34
14 activity values
11 unique targets
Type:
Small molecule
AlogP:
1.83
Polar Surface Area:
149.50
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.15
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ALA477725
Name:
Ventiloquinone I
Mol. Formula:
C16H16O6
M.W.:
304.30
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
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