Compounds

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ALA3785628
Name:
N-Methyl-2-(1-methyl-1H-indol-3-yl)-N-(4-phenoxybenzyl)-ethanamine
Mol. Formula:
C25H26N2O
M.W.:
370.50
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.65
Polar Surface Area:
17.40
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
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TCS 5861528
Name:
N-(4-sec-butylphenyl)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-Show More⌵
Mol. Formula:
C19H23N5O3
M.W.:
369.43
9 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
90.92
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
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N-Hydroxysuccinimide
Name:
N-hydroxyl succinimide
Mol. Formula:
C4H5NO3
M.W.:
115.09
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
-0.48
Polar Surface Area:
57.61
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.34
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Icilin,AG-3-5
Name:
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
Mol. Formula:
C16H13N3O4
M.W.:
311.30
74 activity values
34 unique targets
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
95.71
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
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