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ALA4877924 Name:
11-hydroxyhumantenine
Mol. Formula:
C21H26N2O4
M.W.:
370.45
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
62.24
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4876644 Name:
ethyl 4-(benzo[d][1,3]dioxol-5-yloxy)butanoate
Mol. Formula:
C13H16O5
M.W.:
252.27
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
53.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4875420 Name:
epi-koumidine
Cas Number:
124096-81-7
Mol. Formula:
C19H22N2O
M.W.:
294.40
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
39.26
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4875152 Name:
benzo[d][1,3]dioxol-5-yl 6-(benzo[d][1,3]dioxol-5-
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Mol. Formula:
C20H20O7
M.W.:
372.37
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4874794 Name:
benzo[d][1,3]dioxol-5-yl 5-(benzo[d][1,3]dioxol-5-
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Mol. Formula:
C19H18O7
M.W.:
358.35
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4874727 Name:
Humantenine N4-oxide
Mol. Formula:
C21H26N2O4
M.W.:
370.45
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
61.83
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4873560 Name:
4-N-demethylkoumine
Mol. Formula:
C19H20N2O
M.W.:
292.38
Type:
Unknown
AlogP:
2.59
Polar Surface Area:
33.62
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA4873355 Name:
11-methoxy-19-(R)-hydroxygelselegine
Mol. Formula:
C21H28N2O6
M.W.:
404.46
Type:
Unknown
AlogP:
0.35
Polar Surface Area:
100.49
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4873044 Name:
11-Hydroxyhumantenine N4-Oxide
Mol. Formula:
C21H26N2O5
M.W.:
386.45
Type:
Unknown
AlogP:
2.24
Polar Surface Area:
82.06
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4871951 Name:
N-(1-methyl-1H-indol-5-yl)-2-(6-(4-methylphenoxy)p
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Mol. Formula:
C23H19N3O3
M.W.:
385.42
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
73.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4870600 Name:
Gelselegine
Mol. Formula:
C20H26N2O4
M.W.:
358.44
Type:
Unknown
AlogP:
1.37
Polar Surface Area:
71.03
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4869520 Name:
2-(4-Ethyl-phenylamino)-N-(4-sulfamoyl-benzyl)-ace
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Mol. Formula:
C17H21N3O3S
M.W.:
347.44
Type:
Unknown
AlogP:
1.62
Polar Surface Area:
101.29
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5287576 Name:
1-(chloromethyl)-4-(m-tolyl)-[1,2,4]triazolo[4,3-a
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Mol. Formula:
C17H13ClN4O
M.W.:
324.77
Type:
---
AlogP:
3.08
Polar Surface Area:
52.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5287507 Name:
(5-(4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2-thiox
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Mol. Formula:
C19H16FN5O2S
M.W.:
397.44
Type:
---
AlogP:
2.68
Polar Surface Area:
89.32
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5287338 Name:
Propapyriogenin A2
Mol. Formula:
C30H44O5
M.W.:
484.68
Type:
---
AlogP:
5.59
Polar Surface Area:
91.67
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5287160 Name:
5-(furan-2-yl)-3-(naphthalen-1-yl)-4,5-dihydro-1H-
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Mol. Formula:
C17H14N2O
M.W.:
262.31
Type:
---
AlogP:
3.87
Polar Surface Area:
37.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5287075 Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthale
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Mol. Formula:
C22H17Br2N5O2S
M.W.:
575.29
Type:
---
AlogP:
4.96
Polar Surface Area:
100.10
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5286988 Name:
3-(3-methylthiophen-2-yl)-1-(3-morpholinopropyl)py
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Mol. Formula:
C16H22N2O3S
M.W.:
322.43
Type:
---
AlogP:
1.62
Polar Surface Area:
49.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5286984 Name:
2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthale
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Mol. Formula:
C26H24BrClN4O2S
M.W.:
571.93
Type:
---
AlogP:
5.63
Polar Surface Area:
87.74
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5286946 Name:
1'-(6-oxooctyl)spiro[fluorene-9,4'-imidazolidine]-
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Mol. Formula:
C23H24N2O3
M.W.:
376.46
Type:
---
AlogP:
4.00
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
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