Compounds

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ALA4764217
Name:
3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet
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Mol. Formula:
C19H18O8
M.W.:
374.35

2 activity values

1 unique targets
Type:
Unknown
AlogP:
0.12
Polar Surface Area:
129.59
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4761604
Name:
2-(3,4-bis(N-methylsulfamoyl)-1H-pyrrol-1-yl)-N-(3
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Mol. Formula:
C16H22N4O5S2
M.W.:
414.51

2 activity values

1 unique targets
Type:
Unknown
AlogP:
0.56
Polar Surface Area:
126.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4785030
Name:
N-(2-methoxybenzyl)-4-methyl-N-(2-(piperazin-1-yls
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Mol. Formula:
C21H29N3O5S2
M.W.:
467.61

52 activity values

5 unique targets
Type:
Unknown
AlogP:
1.43
Polar Surface Area:
96.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4753538
Name:
3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxyindolin-2
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Cas Number:
76325-81-0

Mol. Formula:
C19H16N2O5
M.W.:
352.35

2 activity values

1 unique targets
Type:
Unknown
AlogP:
1.02
Polar Surface Area:
115.73
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4794885
Name:
4-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h
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Mol. Formula:
C21H26O8
M.W.:
406.43

2 activity values

1 unique targets
Type:
Unknown
AlogP:
0.55
Polar Surface Area:
129.59
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4748453
Name:
2-(2,4-dichlorophenoxy)-N'-((2R,3R,4R,5R)-2,3,4,5-
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Mol. Formula:
C14H18Cl2N2O6
M.W.:
381.21

2 activity values

1 unique targets
Type:
Unknown
AlogP:
-0.06
Polar Surface Area:
131.61
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE