Compounds

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ALA4539362
Name:
3-(5-((4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropy
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Mol. Formula:
C28H18N2O5S
M.W.:
494.53

2 activity values

1 unique targets
Type:
Unknown
AlogP:
5.39
Polar Surface Area:
91.06
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
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ALA4519053
Name:
5-((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyle
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Mol. Formula:
C28H19ClN2O4S
M.W.:
514.99

3 activity values

1 unique targets
Type:
Unknown
AlogP:
6.36
Polar Surface Area:
62.99
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
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ALA4589436
Name:
5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene
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Mol. Formula:
C28H19N3O5S
M.W.:
509.54

3 activity values

1 unique targets
Type:
Unknown
AlogP:
5.91
Polar Surface Area:
96.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4583184
Name:
5-((5-(2-methyl-6-nitrophenyl)furan-2-yl)methylene
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Mol. Formula:
C28H19N3O5S
M.W.:
509.54

26 activity values

14 unique targets
Type:
Unknown
AlogP:
5.91
Polar Surface Area:
96.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE