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ALA4475798 Name:
1,8-Bis(benzyloxy)-9,10-anthraquinone-N-(2-hydroxy
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Mol. Formula:
C31H25NO6
M.W.:
507.54
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
101.93
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4521660 Name:
Penicilone G
Mol. Formula:
C29H35BrO7
M.W.:
575.50
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
106.97
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4520102 Name:
3-[6-morpholino-5-(trifluoromethyl)pyridazin-3-yl]
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Mol. Formula:
C13H12F3N5O2
M.W.:
327.27
Type:
Unknown
AlogP:
1.08
Polar Surface Area:
84.00
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4556604 Name:
2-Methylbenzyl 4-((3R,5aS,6R,8aS,9R,10R,12R,12aR)-
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Mol. Formula:
C28H40N2O4S2
M.W.:
532.77
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
43.40
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4555038 Name:
(3E,5E)-3-(3-pyridylmethylene)-5-(2-trifluoromethy
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Mol. Formula:
C26H18F6N2O3S
M.W.:
552.50
Type:
Unknown
AlogP:
5.86
Polar Surface Area:
67.34
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4552969 Name:
Penicilone D
Mol. Formula:
C29H33ClO6
M.W.:
513.03
Type:
Unknown
AlogP:
6.46
Polar Surface Area:
89.90
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4745157 Name:
NA
Mol. Formula:
C39H48BrO6P
M.W.:
723.68
Type:
Unknown
AlogP:
7.29
Polar Surface Area:
63.22
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4744767 Name:
3-Bromo-5-methoxy-4-(4-((3R,5aS,6R,8aS,9R,10R,12R,
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Mol. Formula:
C24H35BrN2O7
M.W.:
543.46
Type:
Unknown
AlogP:
2.95
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4744657 Name:
2-Butyl-5-nitro-6-(4-tosylpiperazin-1-yl)-1H-benzo
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Mol. Formula:
C27H28N4O6S
M.W.:
536.61
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
121.14
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4744058 Name:
Tert-butyl 4-(2-(4-chlorobenzyl)-5-nitro-1,3-dioxo
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Mol. Formula:
C28H27ClN4O6
M.W.:
551.00
Type:
Unknown
AlogP:
5.25
Polar Surface Area:
113.30
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4744039 Name:
(1E,37,4E)-1-(4-((2-chlorobenzyl)oxy)phenyl)-5-(py
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Mol. Formula:
C32H25ClN4O2
M.W.:
533.03
Type:
Unknown
AlogP:
7.73
Polar Surface Area:
69.49
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4743993 Name:
Artemyrianolide Q
Mol. Formula:
C15H20O3
M.W.:
248.32
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.41
DETAILS
CLOSE
ALA4743196 Name:
NA
Mol. Formula:
C37H44BrO6P
M.W.:
695.63
Type:
Unknown
AlogP:
6.51
Polar Surface Area:
63.22
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4742747 Name:
(1E,3Z,4E)-1-(4-((2-chlorobenzyl)oxy)phenyl)-5-(py
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Mol. Formula:
C31H23ClN4O2
M.W.:
519.00
Type:
Unknown
AlogP:
7.42
Polar Surface Area:
69.49
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4741804 Name:
(5S)-3-chloro-5-(((1S,2R,5S)-2-isopropyl-5-methylc
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Mol. Formula:
C33H51ClN2O7
M.W.:
623.23
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4741414 Name:
Tert-butyl 4-(2-(3,4-dihydroxyphenethyl)-5-nitro-1
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Mol. Formula:
C29H30N4O8
M.W.:
562.58
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
153.76
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4741149 Name:
Artemyrianolide E
Mol. Formula:
C17H22O5
M.W.:
306.36
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4740633 Name:
2-(3,4-Dihydroxyphenethyl)-5-nitro-6-(4-tosylpiper
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Mol. Formula:
C31H28N4O8S
M.W.:
616.65
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
161.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4776030 Name:
Artemyrianolide S
Mol. Formula:
C15H20O5
M.W.:
280.32
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4765013 Name:
2-Benzyl-5-nitro-6-(4-tosylpiperazin-1-yl)-1H-benz
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Mol. Formula:
C30H26N4O6S
M.W.:
570.63
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
121.14
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
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