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ALA4879383 Name:
2-(2-(butylthio)-6-phenylpyrimidin-4-yl)-1H-benzo[
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Mol. Formula:
C21H20N4S
M.W.:
360.49
Type:
Unknown
AlogP:
5.58
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4878921 Name:
2-(2-(butylthio)-6-(4-chlorophenyl)pyrimidin-4-yl)
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Mol. Formula:
C21H19ClN4S
M.W.:
394.93
Type:
Unknown
AlogP:
6.23
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4875976 Name:
2-(2-(butylthio)-6-(4-fluorophenyl)pyrimidin-4-yl)
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Mol. Formula:
C21H19FN4S
M.W.:
378.48
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4874929 Name:
2-(2-(methylthio)-6-phenylpyrimidin-4-yl)-1H-benzo
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Mol. Formula:
C18H14N4S
M.W.:
318.41
Type:
Unknown
AlogP:
4.41
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5287095 Name:
2,3-dimethyl-7-(propan-2-yloxy)-4H-furo[3,2-c]chro
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Mol. Formula:
C16H16O4
M.W.:
272.30
Type:
---
AlogP:
3.94
Polar Surface Area:
52.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5285371 Name:
2,3-dimethyl-7-(prop-2-en-1-yloxy)-4H-furo[3,2-c]c
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Mol. Formula:
C16H14O4
M.W.:
270.28
Type:
---
AlogP:
3.72
Polar Surface Area:
52.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5279857 Name:
7-ethoxy-2,3-dimethyl-4H-furo[3,2-c]chromen-4-one
Mol. Formula:
C15H14O4
M.W.:
258.27
Type:
---
AlogP:
3.55
Polar Surface Area:
52.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4867378 Name:
2-(6-(4-chlorophenyl)-2-(methylthio)pyrimidin-4-yl
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Mol. Formula:
C18H13ClN4S
M.W.:
352.85
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4866470 Name:
2-(2-(benzylthio)-6-(4-chlorophenyl)pyrimidin-4-yl
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Mol. Formula:
C24H17ClN4S
M.W.:
428.95
Type:
Unknown
AlogP:
6.63
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4857121 Name:
2-(2-(benzylthio)-6-(4-fluorophenyl)pyrimidin-4-yl
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Mol. Formula:
C24H17FN4S
M.W.:
412.49
Type:
Unknown
AlogP:
6.12
Polar Surface Area:
54.46
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4862804 Name:
2-(6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-4-y
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Mol. Formula:
C19H16N4OS
M.W.:
348.43
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
63.69
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4868207 Name:
2-(2-(benzylthio)-6-(4-methoxyphenyl)pyrimidin-4-y
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Mol. Formula:
C25H20N4OS
M.W.:
424.53
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
63.69
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3741498 Name:
5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(1-me
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Mol. Formula:
C18H17ClF2N4O
M.W.:
378.81
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
52.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3742016 Name:
(S)-5-chloro-6-(2,6-difluorophenyl)-3-(1H-imidazol
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Mol. Formula:
C18H17ClF2N4O
M.W.:
378.81
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
52.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2289387 Name:
3-[2-(2,5-dimethylphenoxymethyl)-alpha-methoxyimin
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Mol. Formula:
C20H20N2O3
M.W.:
336.39
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
56.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2289386 Name:
(Z)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
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Mol. Formula:
C18H16ClN3O3
M.W.:
357.80
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
69.74
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2289385 Name:
(Z)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
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Mol. Formula:
C20H20ClN3O2
M.W.:
369.85
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
48.64
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2289384 Name:
(E)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
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Mol. Formula:
C18H16ClN3O3
M.W.:
357.80
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
69.74
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2289383 Name:
(E)-(2-((2,5-dichlorophenoxy)methyl)phenyl)(1,3,4-
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Mol. Formula:
C17H13Cl2N3O3
M.W.:
378.21
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
69.74
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2285711 Name:
(E)-(2-((2,4-dichlorophenoxy)methyl)phenyl)(1,3,4-
Show More⌵
Mol. Formula:
C17H13Cl2N3O3
M.W.:
378.21
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
69.74
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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