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ALA4522313 Name:
Artanomalide C
Mol. Formula:
C30H34O6
M.W.:
490.60
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
89.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4530108 Name:
Longikaurin A
Mol. Formula:
C20H28O5
M.W.:
348.44
Type:
Unknown
AlogP:
1.40
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4527273 Name:
Chrysanolide I
Mol. Formula:
C20H28O6
M.W.:
364.44
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4550012 Name:
Angeloylcumambrin B
Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4583549 Name:
Tigloylcumambrin B
Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5280294 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
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Mol. Formula:
C25H20N4O5S
M.W.:
488.53
Type:
---
AlogP:
3.82
Polar Surface Area:
128.62
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5279003 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
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Mol. Formula:
C21H12BrN3O5S2
M.W.:
530.38
Type:
---
AlogP:
4.58
Polar Surface Area:
125.38
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5289870 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
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Mol. Formula:
C18H13N3O5S
M.W.:
383.39
Type:
---
AlogP:
2.32
Polar Surface Area:
125.38
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5289403 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
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Mol. Formula:
C24H17N3O6S
M.W.:
475.48
Type:
---
AlogP:
3.76
Polar Surface Area:
134.61
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5288791 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
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Mol. Formula:
C23H15N3O5S
M.W.:
445.46
Type:
---
AlogP:
3.75
Polar Surface Area:
125.38
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5287988 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
Show More⌵
Mol. Formula:
C23H14N4O7S
M.W.:
490.45
Type:
---
AlogP:
3.66
Polar Surface Area:
168.52
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4460264 Name:
Chrysanolide B
Mol. Formula:
C15H22O4
M.W.:
266.34
Type:
Unknown
AlogP:
1.26
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4545915 Name:
N6-cyclopropyl-N2-(quinolin-6-yl)-9H-purine-2,6-di
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Mol. Formula:
C19H27N7O8S2
M.W.:
545.60
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
91.41
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5283808 Name:
methyl 5-((3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyri
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Mol. Formula:
C23H15N3O7S2
M.W.:
509.52
Type:
---
AlogP:
3.60
Polar Surface Area:
151.68
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5276039 Name:
(3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl(1R
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Mol. Formula:
C30H36FNO4
M.W.:
493.62
Type:
---
AlogP:
6.53
Polar Surface Area:
55.84
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5273299 Name:
4,5-dimethoxy-10-hydroxycanthin-6-one
Mol. Formula:
C16H12N2O4
M.W.:
296.28
Type:
---
AlogP:
2.16
Polar Surface Area:
73.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5273293 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
Show More⌵
Mol. Formula:
C25H19N3O7S
M.W.:
505.51
Type:
---
AlogP:
3.77
Polar Surface Area:
143.84
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5272458 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
Show More⌵
Mol. Formula:
C23H14FN3O5S
M.W.:
463.45
Type:
---
AlogP:
3.89
Polar Surface Area:
125.38
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5272341 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
Show More⌵
Mol. Formula:
C24H14F3N3O5S
M.W.:
513.45
Type:
---
AlogP:
4.77
Polar Surface Area:
125.38
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5272170 Name:
3-(4-Amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)
Show More⌵
Mol. Formula:
C21H13N3O5S2
M.W.:
451.49
Type:
---
AlogP:
3.81
Polar Surface Area:
125.38
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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