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ALA4514786 Name:
2-(5-(Benzo[b]thiophen-2-yl)-1H-pyrazol-3-yl)-4-me
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Mol. Formula:
C18H14N2OS
M.W.:
306.39
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
48.91
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4861809 Name:
3-(4-ethoxyphenyl)-2-(4-(tetrazolo[1,5-a]quinolin-
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Mol. Formula:
C27H23N5O3S
M.W.:
497.58
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
81.85
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4860887 Name:
1,3-Dihexyl-2-methyl-4,9-dioxo-4,9-dihydro-1H-naph
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Mol. Formula:
C24H33BrN2O2
M.W.:
461.44
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4860219 Name:
1,3-Dihexyl-2-methyl-4,9-dioxo-4,9-dihydro-3H-imid
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Mol. Formula:
C23H32BrN3O2
M.W.:
462.43
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
55.84
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4859616 Name:
2-Methyl-1-pentyl-1H-naphtho[2,3-d]imidazole-4,9-d
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Mol. Formula:
C17H18N2O2
M.W.:
282.34
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
51.96
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4859558 Name:
3-Butyl-2-ethyl-1-octyl-4,9-dioxo-1H,4H,9H-naphtho
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Mol. Formula:
C25H35BrN2O2
M.W.:
475.47
Type:
Unknown
AlogP:
5.27
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4858484 Name:
3-(sec-Butyl)-1-decyl-2-methyl-4,9-dioxo-4,9-dihyd
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Mol. Formula:
C26H37BrN2O2
M.W.:
489.50
Type:
Unknown
AlogP:
5.97
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4858428 Name:
1,3-Didecyl-2-methyl-4,9-dioxo-4,9-dihydro-1H-naph
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Mol. Formula:
C32H49BrN2O2
M.W.:
573.66
Type:
Unknown
AlogP:
8.14
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4858235 Name:
3-(sec-Butyl)-2-methyl-4,9-dioxo-1-propyl-4,9-dihy
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Mol. Formula:
C19H23BrN2O2
M.W.:
391.31
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4858055 Name:
2-Methyl-1,3-dioctyl-4,9-dioxo-4,9-dihydro-1H-naph
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Mol. Formula:
C28H41BrN2O2
M.W.:
517.55
Type:
Unknown
AlogP:
6.58
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4857689 Name:
3-Butyl-1-cyclohexyl-2-methyl-4,9-dioxo-4,9-dihydr
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Mol. Formula:
C22H27BrN2O2
M.W.:
431.37
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4857216 Name:
3-(sec-Butyl)-1-isobutyl-2-methyl-4,9-dioxo-4,9-di
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Mol. Formula:
C20H25BrN2O2
M.W.:
405.34
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4856889 Name:
1-Benzyl-3-butyl-2-methyl-4,9-dioxo-4,9-dihydro-1H
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Mol. Formula:
C23H23BrN2O2
M.W.:
439.35
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4856513 Name:
2-Methyl-1-octyl-1H-benzo[d]imidazole
Mol. Formula:
C16H24N2
M.W.:
244.38
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4879097 Name:
3-Butyl-2-methyl-1-octyl-1H-benzo[d]imidazol-3-ium
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Mol. Formula:
C20H33BrN2
M.W.:
381.40
Type:
Unknown
AlogP:
5.40
Polar Surface Area:
8.81
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4878535 Name:
3-(sec-Butyl)-1-cyclopropyl-2-methyl-4,9-dioxo-4,9
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Mol. Formula:
C19H21BrN2O2
M.W.:
389.29
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4878104 Name:
3-Butyl-1-(cyclohexylmethyl)-2-methyl-4,9-dioxo-4,
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Mol. Formula:
C23H29BrN2O2
M.W.:
445.40
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4877597 Name:
3-(sec-Butyl)-1-ethyl-2-methyl-4,9-dioxo-4,9-dihyd
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Mol. Formula:
C18H21BrN2O2
M.W.:
377.28
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
42.95
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.70
DETAILS
CLOSE
ALA4876938 Name:
1-Butyl-2-methyl-3-octyl-4,9-dioxo-1H,4H,9H,-imida
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Mol. Formula:
C23H32BrN3O2
M.W.:
462.43
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
55.84
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4875796 Name:
1-Dodecyl-2-methyl-1H-benzo[d]imidazole
Mol. Formula:
C20H32N2
M.W.:
300.49
Type:
Unknown
AlogP:
6.27
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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