Compounds

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ALA1794824
Name:
13-(1-Hydroxy-prop-2-ynyl)-1,2,6,7,8,9,10,11,12,13
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Mol. Formula:
C40H52O4
M.W.:
596.85

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA273571
Name:
Acetic acid 2-oxo-1-(3-oxo-1,2,3,6,7,8,9,10,11,12,
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Mol. Formula:
C22H30O4
M.W.:
358.48

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA14506
Name:
13-(1-Hydroxy-prop-2-ynyl)-1,2,6,7,8,9,10,11,12,13
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Mol. Formula:
C20H26O2
M.W.:
298.43

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA15128
Name:
13-(2-Oxo-propyl)-1,2,6,7,8,9,10,11,12,13,14,15,16
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Mol. Formula:
C20H28O2
M.W.:
300.44

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
34.14
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE