Compounds

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ALA5093691
Name:
1,5,9-triazacyclododecane

Cas Number:
294-80-4

Mol. Formula:
C9H21N3
M.W.:
171.29

2 activity values

1 unique targets
Type:
Unknown
AlogP:
-0.06
Polar Surface Area:
36.09
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.48
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ALA5084961
Name:
N1-(4-(1,5,9-triazacyclododecan-1-yl)butyl)butane-
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Mol. Formula:
C17H44Cl5N5
M.W.:
495.84

7 activity values

3 unique targets
Type:
Unknown
AlogP:
0.76
Polar Surface Area:
65.35
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
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ALA5077744
Name:
N-(5-amino-6-(3-(4-(3-aminopropylamino)butylamino)
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Mol. Formula:
C33H70N6O2
M.W.:
582.96

7 activity values

2 unique targets
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
134.30
HBA:
6
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
33
Passes Ro3:
N
QED Weighted:
0.06
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ALA3139680
Name:
N1,N1',N1''-(benzene-1,3,5-triyltris(methylene))tr
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Mol. Formula:
C36H75N9
M.W.:
634.06

7 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
108.27
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
36
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
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