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ALA4515694 Name:
(E)-N-(2-(tert-Butylamino)-1-(3,4-dimethoxyphenyl)
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Mol. Formula:
C28H34N2O5
M.W.:
478.59
Type:
Unknown
AlogP:
4.40
Polar Surface Area:
84.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4577957 Name:
(E)-N-(2-(tert-Butylamino)-1-(4-methoxyphenyl)-2-o
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Mol. Formula:
C27H34N2O4
M.W.:
450.58
Type:
Unknown
AlogP:
4.64
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4589636 Name:
(E)-N-(2-(tert-Butylamino)-2-oxo-1-(3,4,5-trimetho
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Mol. Formula:
C30H39FN2O6
M.W.:
542.65
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
94.17
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4460514 Name:
(E)-N-(2-(cyclohexylamino)-2-oxo-1-(p-tolyl)ethyl)
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Mol. Formula:
C29H36N2O3
M.W.:
460.62
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4459518 Name:
(E)-2-((2-(tert-Butylamino)-1-(4-fluorophenyl)-2-o
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Mol. Formula:
C25H28F2N2O4
M.W.:
458.51
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4465914 Name:
(E)-N-(1-(Benzylamino)-3,3-dimethyl-1-oxobutan-2-y
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Mol. Formula:
C27H33FN2O3
M.W.:
452.57
Type:
Unknown
AlogP:
4.92
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4544484 Name:
(E)-N-(2-(cyclohexylamino)-1-(4-fluorophenyl)-2-ox
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Mol. Formula:
C28H31FN2O3
M.W.:
462.57
Type:
Unknown
AlogP:
5.05
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4562297 Name:
(E)-N-(2-(tert-Butylamino)-1-(4-fluorophenyl)-2-ox
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Mol. Formula:
C25H26F2N2O3
M.W.:
440.49
Type:
Unknown
AlogP:
4.35
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4452177 Name:
(E)-N-(2-(Benzylamino)-1-(5-methylpyrimidin-2-yl)-
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Mol. Formula:
C28H28N4O3
M.W.:
468.56
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
92.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4451049 Name:
(E)-N-cyclohexyl-N-(2-(cyclohexylamino)-1-(2-metho
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Mol. Formula:
C32H40N2O4
M.W.:
516.68
Type:
Unknown
AlogP:
6.09
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4447931 Name:
(E)-N-(1-(tert-butylamino)-3,3-dimethyl-1-oxobutan
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Mol. Formula:
C25H38N2O3
M.W.:
414.59
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4443061 Name:
(E)-N-(2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-o
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Mol. Formula:
C30H38N2O4
M.W.:
490.64
Type:
Unknown
AlogP:
5.42
Polar Surface Area:
75.71
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4439743 Name:
rac-(3R,6S)-1-Benzyl-4-cyclohexyl-6-(2-oxo-2-(p-to
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Mol. Formula:
C31H33N3O3
M.W.:
495.62
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
70.58
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3703582 Name:
US9018255, 8b
Mol. Formula:
C18H15Cl2NO3
M.W.:
364.23
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3703581 Name:
US9018255, 8a
Mol. Formula:
C20H15F6NO3
M.W.:
431.33
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3703580 Name:
US9018255, 3b
Mol. Formula:
C21H26Cl2N2O6
M.W.:
473.35
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
110.80
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3703579 Name:
US9018255, D-3a
Mol. Formula:
C23H26F6N2O6
M.W.:
540.46
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
110.80
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3703578 Name:
US9018255, 3a
Mol. Formula:
C23H26F6N2O6
M.W.:
540.46
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
110.80
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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