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ALA4097785 Name:
3-(17-Ethyl-3,12-dioxo-13-oxa-4,11-diaza-tricyclo[
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Mol. Formula:
C27H28N4O4
M.W.:
472.55
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
122.55
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4095879 Name:
[(2R,5R)-17,20-Dimethyl-3,12-dioxo-2-(1-oxo-1,2-di
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Mol. Formula:
C31H30N4O6
M.W.:
554.60
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
149.62
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4469308 Name:
N-(4-methoxy-2-((5-methylpyridin-2-yl)carbamoyl)ph
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Mol. Formula:
C22H23N5O3S
M.W.:
437.53
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
96.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4094405 Name:
3-[(R)-4-Methyl-3,12-dioxo-7-(propane-2-sulfonyl)-
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Mol. Formula:
C29H32N4O6S
M.W.:
564.66
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
147.90
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4088154 Name:
NA
Mol. Formula:
C32H32N4O4
M.W.:
536.63
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
103.53
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3986081 Name:
US9174974, Example 38
Mol. Formula:
C34H36FN5O5
M.W.:
613.69
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
128.04
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4073823 Name:
3-(17,20-Diethyl-3,12-dioxo-13-oxa-4,11-diaza-tric
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Mol. Formula:
C29H32N4O4
M.W.:
500.60
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
122.55
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4059991 Name:
NA
Mol. Formula:
C117H160N32O28S3
M.W.:
2558.96
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4077853 Name:
(R)-7-Ethanesulfonyl-4-methyl-2-(1-oxo-1,2-dihydro
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Mol. Formula:
C30H30N4O6S
M.W.:
574.66
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
137.67
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4066874 Name:
[(2R,5R)-17,20-Dimethyl-3,12-dioxo-2-(1-oxo-1,2-di
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Mol. Formula:
C33H34N4O6
M.W.:
582.66
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
138.62
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4079760 Name:
3-(3,12-Dioxo-13-oxa-4,11-diaza-tricyclo[14.2.2.1(
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Mol. Formula:
C25H24N4O4
M.W.:
444.49
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
122.55
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3983744 Name:
US9174974, Example 17
Mol. Formula:
C33H36FN5O5
M.W.:
601.68
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
139.04
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3979309 Name:
US9174974, Example 10
Mol. Formula:
C34H34F3N5O5
M.W.:
649.67
Type:
Small molecule
AlogP:
6.57
Polar Surface Area:
146.88
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3973659 Name:
US9174974, Example 24
Mol. Formula:
C33H34FN5O5S
M.W.:
631.73
Type:
Small molecule
AlogP:
5.49
Polar Surface Area:
143.72
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3977297 Name:
US9174974, Example 33
Mol. Formula:
C33H36FN5O5
M.W.:
601.68
Type:
Small molecule
AlogP:
5.50
Polar Surface Area:
139.04
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4647759 Name:
2-(5-hydroxy-6-phenylpyrimidin-4-yl)-1H-benzo[d]im
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Mol. Formula:
C18H14N6O
M.W.:
330.35
Type:
Unknown
AlogP:
2.68
Polar Surface Area:
124.56
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4441346 Name:
N-(2-((5-chloropyridin-2-yl)carbamoyl)-4-methoxyph
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Mol. Formula:
C21H20ClN5O3S
M.W.:
457.94
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
96.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4114547 Name:
US9174974, Comparator 3
Mol. Formula:
C31H33N5O5S
M.W.:
587.70
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
152.51
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4113473 Name:
US9174974, Example 4
Mol. Formula:
C37H37F2N7O4S
M.W.:
713.81
Type:
Small molecule
AlogP:
7.02
Polar Surface Area:
142.78
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4110036 Name:
US9174974, Comparator 1
Mol. Formula:
C31H32FN5O5S
M.W.:
605.69
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
143.72
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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