Compounds

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ALA482610
Name:
(-)-isosclerone
Mol. Formula:
C10H10O3
M.W.:
178.19
19 activity values
17 unique targets
Type:
Small molecule
AlogP:
1.40
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
ALA482609
Name:
(+)-6-acetoxymellein
Mol. Formula:
C12H12O5
M.W.:
236.22
19 activity values
17 unique targets
Type:
Small molecule
AlogP:
1.42
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA446047
Name:
(+)-6-hydroxymellein
Mol. Formula:
C10H10O4
M.W.:
194.19
19 activity values
17 unique targets
Type:
Small molecule
AlogP:
1.20
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA502110
Name:
4-acetoxy-3(3'-methyl-2'butenyl)benzoic acid
Mol. Formula:
C14H16O4
M.W.:
248.28
19 activity values
17 unique targets
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
63.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Name:
4-hydroxy-3(3'-methyl-2'-butenyl)benzoic acid
Mol. Formula:
C12H14O3
M.W.:
206.24
19 activity values
17 unique targets
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE