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ALA5287455 Name:
diethyl (2-hydroxy-2-(4-((5-nitro-1,3-dioxo-1H-ben
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Mol. Formula:
C21H22N5O8P
M.W.:
503.41
Type:
---
AlogP:
2.89
Polar Surface Area:
166.99
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5287313 Name:
diethyl (4-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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Mol. Formula:
C23H27N4O5P
M.W.:
470.47
Type:
---
AlogP:
4.27
Polar Surface Area:
103.62
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5286932 Name:
4-hydroperoxyoscillatoxin B2
Mol. Formula:
C32H46O11
M.W.:
606.71
Type:
---
AlogP:
4.80
Polar Surface Area:
150.21
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5286871 Name:
diethyl (3-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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Mol. Formula:
C22H25N4O6P
M.W.:
472.44
Type:
---
AlogP:
2.85
Polar Surface Area:
123.85
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5286297 Name:
diethyl (4-(4-((5-nitro-1,3-dioxo-1H-benzo[de]isoq
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Mol. Formula:
C23H26N5O7P
M.W.:
515.46
Type:
---
AlogP:
4.18
Polar Surface Area:
146.76
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5285959 Name:
17-bromooscillatoxin B2
Mol. Formula:
C32H45BrO10
M.W.:
669.61
Type:
---
AlogP:
5.07
Polar Surface Area:
140.98
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5285890 Name:
diethyl (2-(((4-((5-nitro-1,3-dioxo-1H-benzo[de]is
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Mol. Formula:
C22H23N6O8P
M.W.:
530.43
Type:
---
AlogP:
2.48
Polar Surface Area:
175.86
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5285780 Name:
diethyl ((4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(
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Mol. Formula:
C20H21N4O5P
M.W.:
428.39
Type:
---
AlogP:
3.45
Polar Surface Area:
103.62
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5284911 Name:
Curacin A
Mol. Formula:
C23H35NOS
M.W.:
373.61
Type:
---
AlogP:
6.37
Polar Surface Area:
21.59
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5284753 Name:
2-oxo-3(R)-hydroxy-lyngbyatoxin A
Mol. Formula:
C27H39N3O4
M.W.:
469.63
Type:
---
AlogP:
3.36
Polar Surface Area:
101.90
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5284729 Name:
diethyl (3-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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Mol. Formula:
C22H24BrN4O6P
M.W.:
551.33
Type:
---
AlogP:
3.62
Polar Surface Area:
123.85
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5284606 Name:
diethyl (4-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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Mol. Formula:
C23H26BrN4O5P
M.W.:
549.36
Type:
---
AlogP:
5.04
Polar Surface Area:
103.62
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5284273 Name:
Oscillatoxin
Mol. Formula:
C32H46O10
M.W.:
590.71
Type:
---
AlogP:
4.31
Polar Surface Area:
140.98
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5284101 Name:
diethyl (3-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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Mol. Formula:
C22H24BrN4O5P
M.W.:
535.34
Type:
---
AlogP:
4.65
Polar Surface Area:
103.62
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5284062 Name:
Anhydroaplysiatoxin
Mol. Formula:
C32H45BrO9
M.W.:
653.61
Type:
---
AlogP:
6.10
Polar Surface Area:
120.75
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5281013 Name:
Oscillatoxin I
Mol. Formula:
C32H43BrO8
M.W.:
635.59
Type:
---
AlogP:
5.99
Polar Surface Area:
119.36
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5280262 Name:
diethyl (2-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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Mol. Formula:
C21H23N4O6P
M.W.:
458.41
Type:
---
AlogP:
2.98
Polar Surface Area:
123.85
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5280180 Name:
diethyl (2-((4-((5-nitro-1,3-dioxo-1H-benzo[de]iso
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Mol. Formula:
C22H24N5O8P
M.W.:
517.44
Type:
---
AlogP:
3.38
Polar Surface Area:
155.99
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5278753 Name:
30-methy-loscillatoxin D
Mol. Formula:
C32H44O8
M.W.:
556.70
Type:
---
AlogP:
5.32
Polar Surface Area:
108.36
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5278708 Name:
12-chloro-11-Hydroxydibromoisophakellin
Mol. Formula:
C11H12Br2ClN5O2
M.W.:
441.51
Type:
---
AlogP:
0.15
Polar Surface Area:
106.41
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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