Compounds

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ALA199900
Name:
3,5-dimethyl-4-hydroxy-5-phenethyl-5H-thiophen-2-one
Mol. Formula:
C14H16O2S
M.W.:
248.35

Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
37.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
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ALA382200
Name:
(R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpenta-1,3-dienyl)-5H-thiophenShow More⌵
Mol. Formula:
C12H16O2S
M.W.:
224.32

Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
37.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
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ALA203309
Name:
5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one
Mol. Formula:
C10H12O2S
M.W.:
196.27

Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
37.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
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ALA383493
Name:
(R)-3,5-dimethyl-4-hydroxy-5-(2-methylbutyl)-5H-thiophen-2-one
Mol. Formula:
C11H18O2S
M.W.:
214.33
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
37.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA322740
Name:
rac-thiolactomycin
Mol. Formula:
C11H14O2S
M.W.:
210.30

Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
37.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.71
DETAILS
CLOSE