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ALA4558106 Name:
(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-di
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Mol. Formula:
C23H18FN3O2
M.W.:
387.41
Type:
Unknown
AlogP:
4.79
Polar Surface Area:
59.23
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4569878 Name:
(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,5-di
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Mol. Formula:
C23H18FN3O2
M.W.:
387.41
Type:
Unknown
AlogP:
4.79
Polar Surface Area:
59.23
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4567857 Name:
(4-Fluorophenyl)[4-methyl-1-(quinolin-2-yl)-1,4,6,
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Mol. Formula:
C22H18FN5O
M.W.:
387.42
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
63.91
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4516772 Name:
(S)-(4-fluorophenyl)(7-methyl-3-(quinolin-2-yl)-4,
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Mol. Formula:
C23H18FN3O2
M.W.:
387.41
Type:
Unknown
AlogP:
4.79
Polar Surface Area:
59.23
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4546800 Name:
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,
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Mol. Formula:
C22H18FN5O
M.W.:
387.42
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
63.91
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3986148 Name:
US9346786, 123
Mol. Formula:
C32H34ClFN4O5
M.W.:
609.10
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
92.28
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3985905 Name:
US9346786, 89
Mol. Formula:
C30H34ClF2N3O4
M.W.:
574.07
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
70.16
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3985128 Name:
US9346786, 33
Mol. Formula:
C31H30ClFN6O3
M.W.:
589.07
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
102.66
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3982917 Name:
US9346786, 41
Mol. Formula:
C30H30Cl2F2N4O3
M.W.:
603.50
Type:
Small molecule
AlogP:
6.40
Polar Surface Area:
65.98
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3981870 Name:
US9346786, 102
Mol. Formula:
C31H31ClF2N4O4
M.W.:
597.06
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
83.05
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3981375 Name:
US9346786, 30
Mol. Formula:
C33H34ClFN4O4
M.W.:
605.11
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
83.05
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3980824 Name:
US9346786, 81
Mol. Formula:
C26H30ClF2N3O5S
M.W.:
570.06
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
87.23
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3980803 Name:
US9422299, 32
Mol. Formula:
C16H14F2N6OS
M.W.:
376.39
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
76.80
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3980572 Name:
US9346786, 56
Mol. Formula:
C25H28ClF2N3O3
M.W.:
491.97
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
61.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3979723 Name:
US9422299, 34
Mol. Formula:
C16H13F3N6OS
M.W.:
394.38
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
76.80
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3979381 Name:
US9346786, 84
Mol. Formula:
C30H35ClFN3O5
M.W.:
572.08
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
79.39
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3813735 Name:
(S)-3,7-Dihydroxy-2-phenyl-N-(1-phenylpropyl)quino
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Mol. Formula:
C25H22N2O3
M.W.:
398.46
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
82.45
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3815072 Name:
(S)-3-Hydroxy-2-(4-hydroxyphenyl)-N-(1-phenylpropy
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Mol. Formula:
C25H22N2O3
M.W.:
398.46
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
82.45
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3813835 Name:
(S)-3-Hydroxy-2-phenyl-N-(1-phenylpropyl)-7-methox
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Mol. Formula:
C26H24N2O3
M.W.:
412.49
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
71.45
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3814793 Name:
(S)-3-Hydroxy-2-(4-methoxyphenyl)-N-(1-phenylpropy
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Mol. Formula:
C26H24N2O3
M.W.:
412.49
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
71.45
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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