Compounds

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ALA1173122
Name:
N-(2,6-Dimethylphenyl)-2-[(1R,9aR)-(octahydro-2H-quinolizin-1-yl)methylthioShow More⌵
Mol. Formula:
C20H30N2OS
M.W.:
346.54
24 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
32.34
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
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ALA530342
Name:
Jasmolactone B
Mol. Formula:
C26H28O11
M.W.:
516.50
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
172.21
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
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ALA482595
Name:
Jasmolactone A
Mol. Formula:
C19H22O9
M.W.:
394.38
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.61
Polar Surface Area:
131.75
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
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ALA373373
Name:
4-acetylamino-N-[(1S,9aR)-(octahydro-2H-quinolizin-1-yl)methyl]benzamide
Mol. Formula:
C19H27N3O2
M.W.:
329.44
32 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
61.44
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
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