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ALA4177102 Name:
3-(Dimethylamino)propyl-7-fluoro-5,12-dioxo-5,12-d
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Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4176891 Name:
3-(Pyrrolidin-1-yl)propyl-7-chloro-5,12-dioxo-5,12
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Mol. Formula:
C23H20ClN3O4
M.W.:
437.88
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4176746 Name:
2-Morpholinoethyl-5,12-dioxo-5,12-dihydroindolizin
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Mol. Formula:
C21H18N4O5
M.W.:
406.40
Type:
Small molecule
AlogP:
0.99
Polar Surface Area:
103.10
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4176694 Name:
Ethyl 5,12-dioxo-8-(3-(piperidin-1-yl)propanamido)
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Mol. Formula:
C26H26N4O5
M.W.:
474.52
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
110.08
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4176216 Name:
N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
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Mol. Formula:
C40H50N4O6
M.W.:
682.86
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
99.70
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4176215 Name:
NA
Mol. Formula:
C37H52N4O6
M.W.:
648.84
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
99.70
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4175407 Name:
3-(Piperidin-1-yl)propyl-7-fluoro-5,12-dioxo-5,12-
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Mol. Formula:
C24H22FN3O4
M.W.:
435.46
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4174633 Name:
2-Morpholinoethyl-5,12-dioxo-5,12-dihydroindolizin
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Mol. Formula:
C22H19N3O5
M.W.:
405.41
Type:
Small molecule
AlogP:
1.60
Polar Surface Area:
90.21
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4174350 Name:
2-(4-Methylpiperazin-1-yl)ethyl-7-fluoro-5,12-diox
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Mol. Formula:
C23H21FN4O4
M.W.:
436.44
Type:
Small molecule
AlogP:
1.65
Polar Surface Area:
84.22
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4173330 Name:
Ethyl-8-(3-(dimethylamino)propanamido)-5,12-dioxo-
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Mol. Formula:
C23H22N4O5
M.W.:
434.45
Type:
Small molecule
AlogP:
2.18
Polar Surface Area:
110.08
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4172840 Name:
(1R,3S)-N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,1
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Mol. Formula:
C40H56N4O6
M.W.:
688.91
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
99.70
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4172174 Name:
3-(Piperidin-1-yl)propyl-7-chloro-5,12-dioxo-5,12-
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Mol. Formula:
C24H22ClN3O4
M.W.:
451.91
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4171962 Name:
3-(Pyrrolidin-1-yl)propyl-7-fluoro-5,12-dioxo-5,12
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Mol. Formula:
C23H20FN3O4
M.W.:
421.43
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4171707 Name:
N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
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Mol. Formula:
C40H50N4O6
M.W.:
682.86
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
99.70
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4170914 Name:
2-Morpholinoethyl-7-fluoro-5,12-dioxo-5,12-dihydro
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Mol. Formula:
C22H18FN3O5
M.W.:
423.40
Type:
Small molecule
AlogP:
1.74
Polar Surface Area:
90.21
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4170273 Name:
3-Morpholinopropyl-7-chloro-5,12-dioxo-5,12-dihydr
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Mol. Formula:
C23H20ClN3O5
M.W.:
453.88
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
90.21
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4169036 Name:
NA
Mol. Formula:
C23H28N2O3
M.W.:
380.49
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
49.85
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4169029 Name:
2-(Pyrrolidin-1-yl)ethyl-7-chloro-5,12-dioxo-5,12-
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Mol. Formula:
C22H18ClN3O4
M.W.:
423.86
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
80.98
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4168844 Name:
Ethyl 8-(3-morpholinopropanamido)-5,12-dioxo-5,12-
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Mol. Formula:
C25H24N4O6
M.W.:
476.49
Type:
Small molecule
AlogP:
1.95
Polar Surface Area:
119.31
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4168359 Name:
N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
Show More⌵
Mol. Formula:
C40H50N4O6
M.W.:
682.86
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
99.70
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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