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ALA5285512 Name:
6-methoxy-1-(1-methylindol-3-yl)-9H-pyrido[3,4-b]i
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Mol. Formula:
C21H17N3O
M.W.:
327.39
Type:
---
AlogP:
4.88
Polar Surface Area:
42.84
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5280298 Name:
1-(2-naphthyl)-9H-pyrido[3,4-b]indole
Mol. Formula:
C21H14N2
M.W.:
294.36
Type:
---
AlogP:
5.54
Polar Surface Area:
28.68
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5268604 Name:
1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indol-6-ol
Mol. Formula:
C19H13N3O
M.W.:
299.33
Type:
---
AlogP:
4.57
Polar Surface Area:
64.70
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5094012 Name:
(4R)-4-[[(5-chloro-8-quinolyl)methylamino]methyl]-
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Mol. Formula:
C18H20ClN3O
M.W.:
329.83
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA5093969 Name:
N-[(5-chloro-8-quinolyl)methyl]-2-[(3R)-tetrahydro
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Mol. Formula:
C16H19ClN2O
M.W.:
290.79
Type:
Unknown
AlogP:
3.40
Polar Surface Area:
34.15
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5093652 Name:
1-phenyl-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)
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Mol. Formula:
C21H23N5
M.W.:
345.45
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
66.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5093295 Name:
1-(5-chloro-8-quinolyl)-N-[[(7S)-5,6,7,8-tetrahydr
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Mol. Formula:
C18H19ClN4
M.W.:
326.83
Type:
Unknown
AlogP:
3.44
Polar Surface Area:
42.74
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5092728 Name:
(2R)-1-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-
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Mol. Formula:
C21H33NO3
M.W.:
347.50
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA5092524 Name:
2-[(5-fluoro-8-quinolyl)methylamino]-N,N-dimethyl-
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Mol. Formula:
C14H18FN3O2S
M.W.:
311.38
Type:
Unknown
AlogP:
1.35
Polar Surface Area:
62.30
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5091270 Name:
N-[[(3S)-1,1-dioxothian-3-yl]methyl]-1-(8-quinolyl
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Mol. Formula:
C16H20N2O2S
M.W.:
304.42
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
59.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA5090584 Name:
N,N-dimethyl-2-(8-quinolylmethylamino)ethanesulfon
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Mol. Formula:
C14H19N3O2S
M.W.:
293.39
Type:
Unknown
AlogP:
1.22
Polar Surface Area:
62.30
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5089996 Name:
(4S)-4-[[(5-chloro-8-quinolyl)methylamino]methyl]-
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Mol. Formula:
C17H20ClN3O
M.W.:
317.82
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA5087602 Name:
1-(5-bromo-8-quinolyl)-N-[(1-methylsulfonylcyclopr
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Mol. Formula:
C15H17BrN2O2S
M.W.:
369.28
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
59.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5087322 Name:
N2-[(2-imidazol-1-ylphenyl)methyl]-N4,N4,5-trimeth
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Mol. Formula:
C17H20N6
M.W.:
308.39
Type:
Unknown
AlogP:
2.65
Polar Surface Area:
58.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5085238 Name:
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(8-quinol
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Mol. Formula:
C15H18N2O2S
M.W.:
290.39
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
59.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA5082151 Name:
2-[(5-chloro-8-quinolyl)methylamino]-N,N-dimethyl-
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Mol. Formula:
C14H18ClN3O2S
M.W.:
327.84
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
62.30
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5079273 Name:
N-[(5-chloro-8-quinolyl)methyl]-2-(3-pyridyl)ethan
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Mol. Formula:
C17H16ClN3
M.W.:
297.79
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
37.81
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5075486 Name:
1-(5-chloro-8-quinolyl)-N-[[(3S)-1,1-dioxothian-3-
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Mol. Formula:
C16H19ClN2O2S
M.W.:
338.86
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
59.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA5074821 Name:
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(2-pyridylmeth
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Mol. Formula:
C20H24N4O
M.W.:
336.44
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
51.97
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3654214 Name:
US8962612, 86
Mol. Formula:
C19H18F2N4O
M.W.:
356.38
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
84.71
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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