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ALA4878542 Name:
10-benzyl-7,8-dimethoxy-10-methyl-5,10-dihydropyrr
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Mol. Formula:
C22H23NO2
M.W.:
333.43
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
23.39
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4878509 Name:
2-(7-Fluoro-10-methyl-5,10-dihydropyrrolo[1,2-b]is
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Mol. Formula:
C15H13FN2
M.W.:
240.28
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
28.72
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4876767 Name:
2-(7,9-Dimethoxy-10-methyl-5,10-dihydropyrrolo[1,2
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
47.18
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4876556 Name:
2-(6,7-Dimethoxy-10-methyl-5,10-dihydropyrrolo[1,2
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
47.18
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4872834 Name:
7,8-dimethoxy-10-methyl-10-(4-nitrobenzyl)-5,10-di
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Mol. Formula:
C22H22N2O4
M.W.:
378.43
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
66.53
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4871546 Name:
10-(3,4-dimethoxybenzyl)-7,8-dimethoxy-10-methyl-5
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Mol. Formula:
C24H27NO4
M.W.:
393.48
Type:
Unknown
AlogP:
4.43
Polar Surface Area:
41.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4871294 Name:
2-[7-(Benzyloxy)-10-methyl-5,10-dihydropyrrolo[1,2
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Mol. Formula:
C22H20N2O
M.W.:
328.42
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
37.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4870516 Name:
7,8-dimethoxy-10-(4-nitrobenzyl)-10-(trifluorometh
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Mol. Formula:
C22H19F3N2O4
M.W.:
432.40
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
66.53
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4870180 Name:
2-(7-Methoxy-10-methyl-5,10-dihydropyrrolo[1,2-b]i
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Mol. Formula:
C16H16N2O
M.W.:
252.32
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
37.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5286539 Name:
(-)-heliettin
Mol. Formula:
C20H24O3
M.W.:
312.41
Type:
---
AlogP:
3.74
Polar Surface Area:
50.44
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5284492 Name:
5,7-dimethoxy-8-(1-methoxy-2-methylbutyl)-6-(3-met
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Mol. Formula:
C28H34O5
M.W.:
450.58
Type:
---
AlogP:
6.72
Polar Surface Area:
57.90
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5284258 Name:
N1-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-
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Mol. Formula:
C19H36N2
M.W.:
292.51
Type:
---
AlogP:
4.73
Polar Surface Area:
38.05
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5284038 Name:
5,7-dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbuty
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Mol. Formula:
C25H30O5
M.W.:
410.51
Type:
---
AlogP:
5.36
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5280927 Name:
7-((3-methylbut-2-en-1-yl)oxy)-4-phenyl-2H-chromen
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Mol. Formula:
C20H18O3
M.W.:
306.36
Type:
---
AlogP:
4.81
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5280745 Name:
5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-8-(2-methy
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Mol. Formula:
C27H30O5
M.W.:
434.53
Type:
---
AlogP:
6.21
Polar Surface Area:
65.74
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5280087 Name:
5-epi-icetexone
Mol. Formula:
C20H22O5
M.W.:
342.39
Type:
---
AlogP:
2.96
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5279727 Name:
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((2-oxo-4-phe
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Mol. Formula:
C29H28O12
M.W.:
568.53
Type:
---
AlogP:
2.92
Polar Surface Area:
153.87
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5279236 Name:
N1-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-
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Mol. Formula:
C17H32N2
M.W.:
264.46
Type:
---
AlogP:
3.95
Polar Surface Area:
38.05
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4867385 Name:
2-(10-Methyl-5,10-dihydro-[1,3]dioxolo[4,5-g]pyrro
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Mol. Formula:
C16H14N2O2
M.W.:
266.30
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
47.18
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5290964 Name:
4-Acetoxydolastane
Mol. Formula:
C21H32O4
M.W.:
348.48
Type:
---
AlogP:
3.52
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
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