Compounds

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cis-3-Hexenyl acetate
Name:
(Z)-hex-3-en-1-yl acetate
Mol. Formula:
C8H14O2
M.W.:
142.20
28 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2251453
Name:
(E)-hex-2-en-1-yl acetate
Mol. Formula:
C8H14O2
M.W.:
142.20
8 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
cis-3-Hexen-1-ol
Name:
(Z)-hex-3-enol
Mol. Formula:
C6H12O
M.W.:
100.16
36 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.33
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.53
DETAILS
CLOSE
(+)-Borneol
Name:
(+)-borneol
Mol. Formula:
C10H18O
M.W.:
154.25
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.57
DETAILS
CLOSE