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ALA4482879 Name:
diethyl '-4,4'-(3-hydroxy-5-oxohepta-1,3,6-triene-
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Mol. Formula:
C33H36O12
M.W.:
624.64
Type:
Unknown
AlogP:
4.94
Polar Surface Area:
160.96
HBA:
12
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4522668 Name:
2-(1-(4-Methyl-2-(4-(piperidin-1-yl)phenyl)thiazol
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Mol. Formula:
C18H24N6S
M.W.:
356.50
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
90.39
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4521765 Name:
5-hydroxy-1,7-di(1H-pyrrol-2-yl)hepta-1,4,6-trien-
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Mol. Formula:
C15H14N2O2
M.W.:
254.29
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
68.88
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4860870 Name:
3-((trifluoromethyl)selanyl)propyl 2-((2,3-dimethy
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Mol. Formula:
C21H24F3NO2Se
M.W.:
458.38
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4859495 Name:
3-Selenocyanatopropyl 2-((3-(trifluoromethyl)pheny
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Mol. Formula:
C18H15F3N2O2Se
M.W.:
427.28
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4857144 Name:
3-((trifluoromethyl)selanyl)propyl 2-(6-methoxynap
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Mol. Formula:
C18H19F3O3Se
M.W.:
419.30
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4878317 Name:
3-((trifluoromethyl)selanyl)propyl 2-(4-isobutylph
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Mol. Formula:
C17H23F3O2Se
M.W.:
395.32
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4878200 Name:
3-((trifluoromethyl)selanyl)propyl 2-(2-fluoro-[1,
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Mol. Formula:
C19H18F4O2Se
M.W.:
433.30
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4877221 Name:
3-Selenocyanatopropyl (Z)-2-(5-fluoro-2-methyl-1-(
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Mol. Formula:
C24H22FNO3SSe
M.W.:
502.47
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4876984 Name:
3-Selenocyanatopropyl 2-(1-(4-chlorobenzoyl)-5-met
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Mol. Formula:
C23H21ClN2O4Se
M.W.:
503.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4876486 Name:
3-Selenocyanatopropyl 2-((2,3-dimethylphenyl)amino
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Mol. Formula:
C21H24N2O2Se
M.W.:
415.40
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4875617 Name:
3-Selenocyanatopropyl 2-(1,8-diethyl-1,3,4,9-tetra
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Mol. Formula:
C21H26N2O3Se
M.W.:
433.41
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4874223 Name:
3-((trifluoromethyl)selanyl)propyl (Z)-2-(5-fluoro
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Mol. Formula:
C24H22F4O3SSe
M.W.:
545.46
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279066 Name:
3-(2-((5-(pyridin-4-yl)-4-(o-tolyl)-4H-1,2,4-triaz
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Mol. Formula:
C24H21N5S
M.W.:
411.53
Type:
---
AlogP:
5.45
Polar Surface Area:
59.39
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5278825 Name:
3-(2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-
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Mol. Formula:
C23H19N5S
M.W.:
397.51
Type:
---
AlogP:
5.15
Polar Surface Area:
59.39
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4866714 Name:
3-Selenocyanatopropyl 2-acetoxybenzoate
Mol. Formula:
C13H13NO4Se
M.W.:
326.21
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4865210 Name:
3-Selenocyanatopropyl 2-(6-methoxynaphthalen-2-yl)
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Mol. Formula:
C18H19NO3Se
M.W.:
376.31
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4863739 Name:
3-((trifluoromethyl)selanyl)propyl 2-(1,8-diethyl-
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Mol. Formula:
C22H28F3NO3Se
M.W.:
490.42
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4862585 Name:
3-((trifluoromethyl)selanyl)propyl 2-acetoxybenzoa
Show More⌵
Mol. Formula:
C13H13F3O4Se
M.W.:
369.20
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4854373 Name:
3-((trifluoromethyl)selanyl)propyl 2-((3-(trifluor
Show More⌵
Mol. Formula:
C18H15F6NO2Se
M.W.:
470.27
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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