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ALA4871158 Name:
Boesenmaxane A
Mol. Formula:
C20H26O3
M.W.:
314.43
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5287486 Name:
3,5-di(benzylidene)-1-(4-(3-(4-chlorophenyl)-3-oxo
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Mol. Formula:
C35H26ClNO3
M.W.:
544.05
Type:
---
AlogP:
7.43
Polar Surface Area:
54.45
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5287402 Name:
(S)-18-((4-hydroxy-3-methoxybenzyl)amino)-18-oxooc
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Mol. Formula:
C34H49NO5
M.W.:
551.77
Type:
---
AlogP:
7.82
Polar Surface Area:
84.86
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5287210 Name:
Rabdoumbrosanin
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
---
AlogP:
3.61
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5286528 Name:
(-)-ent-arbusculin B
Mol. Formula:
C15H20O2
M.W.:
232.32
Type:
---
AlogP:
3.38
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5285508 Name:
Yak'amide B
Mol. Formula:
C82H143N15O18
M.W.:
1627.13
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5285086 Name:
(1R,2R,4aS,5R,8aS)-5-(2-acetoxy-2-(2-oxo-2,5-dihyd
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Mol. Formula:
C30H48O7Si
M.W.:
548.79
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5284906 Name:
3,5-di(benzylidene)-1-(3-(3,4,5-trimethoxyphenyl)a
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Mol. Formula:
C31H29NO5
M.W.:
495.58
Type:
---
AlogP:
5.30
Polar Surface Area:
65.07
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5284850 Name:
3,5-di(benzylidene)-1-(3-(3,4-dimethoxyphenyl)acry
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Mol. Formula:
C30H27NO4
M.W.:
465.55
Type:
---
AlogP:
5.30
Polar Surface Area:
55.84
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5284209 Name:
8,14-epoxyrabdoumbrosanin
Mol. Formula:
C20H28O4
M.W.:
332.44
Type:
---
AlogP:
2.83
Polar Surface Area:
66.90
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5283951 Name:
3,5-di(benzylidene)-1-(4-(3-(4-methoxyphenyl)-3-ox
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Mol. Formula:
C36H29NO4
M.W.:
539.63
Type:
---
AlogP:
6.78
Polar Surface Area:
63.68
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5283669 Name:
3,5-di(benzylidene)-1-(4-(3-(3,4-dimethoxyphenyl)-
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Mol. Formula:
C37H31NO5
M.W.:
569.66
Type:
---
AlogP:
6.79
Polar Surface Area:
72.91
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5283090 Name:
(-)-ent-costunolide
Mol. Formula:
C15H20O2
M.W.:
232.32
Type:
---
AlogP:
3.55
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5282279 Name:
Rubroside E
Mol. Formula:
C41H51Cl3N2O16
M.W.:
934.22
Type:
---
AlogP:
0.66
Polar Surface Area:
277.46
HBA:
16
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5282005 Name:
Marsupellone
Mol. Formula:
C15H22O
M.W.:
218.34
Type:
---
AlogP:
3.59
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5281714 Name:
3,5-di(benzylidene)-1-(4-(3-oxo-3-(p-tolyl)prop-1-
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Mol. Formula:
C36H29NO3
M.W.:
523.63
Type:
---
AlogP:
7.08
Polar Surface Area:
54.45
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5280987 Name:
3,5-di(benzylidene)-1-(3-(4-methoxyphenyl)acryloyl
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Mol. Formula:
C29H25NO3
M.W.:
435.52
Type:
---
AlogP:
5.29
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5280749 Name:
Acetoxymarsupellone
Mol. Formula:
C17H24O3
M.W.:
276.38
Type:
---
AlogP:
3.14
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5279342 Name:
3,5-di(benzylidene)-1-(3-(p-tolyl)acryloyl)piperid
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Mol. Formula:
C29H25NO2
M.W.:
419.52
Type:
---
AlogP:
5.59
Polar Surface Area:
37.38
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5277963 Name:
3,5-di(benzylidene)-1-(3-(4-nitrophenyl)acryloyl)p
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Mol. Formula:
C28H22N2O4
M.W.:
450.49
Type:
---
AlogP:
5.19
Polar Surface Area:
80.52
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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