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ALA4550946 Name:
2,2-Dimethyl-4-(7-methoxy-1-methyl-beta-carbolin-9
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Mol. Formula:
C20H24N2O3
M.W.:
340.42
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
53.35
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4575812 Name:
2-Methyl-4-(7-methoxy-1-methyl-beta-carbolin-9-yl)
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Mol. Formula:
C18H21N3O2
M.W.:
311.39
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
70.14
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4563765 Name:
5-(7-Methoxy-1-methyl-beta-carbolin-9-yl)pentanami
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Mol. Formula:
C18H21N3O2
M.W.:
311.39
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
70.14
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4442374 Name:
2-Methyl-4-(7-methoxy-1-methyl-beta-carbolin-9-yl)
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Mol. Formula:
C19H22N2O3
M.W.:
326.40
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
53.35
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA213905 Name:
3-ethyl 6-methyl 4-(3-acetylphenylamino)quinoline-
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Mol. Formula:
C22H20N2O5
M.W.:
392.41
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
94.59
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA213351 Name:
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-m-tolyl
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Mol. Formula:
C17H15N5S
M.W.:
321.41
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
55.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA379386 Name:
N2-(4-bromophenyl)-N4-(furan-2-ylmethyl)quinazolin
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Mol. Formula:
C19H15BrN4O
M.W.:
395.26
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
62.98
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA211705 Name:
5-(5-(2-(allyloxy)-5-bromobenzylidene)-4-oxo-4,5-d
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Mol. Formula:
C20H14BrClN2O4S
M.W.:
493.77
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
87.99
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA212045 Name:
(Z)-3-(2-(4-fluorophenylamino)-4-oxothiazol-5(4H)-
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Mol. Formula:
C18H12FN3O2S
M.W.:
353.38
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
61.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA265130 Name:
diethyl 4-(4-acetamidophenylamino)quinoline-3,6-di
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Mol. Formula:
C23H23N3O5
M.W.:
421.45
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
106.62
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA209699 Name:
2-(5-(2-chlorophenyl)-1H-pyrazol-3-yl)-4-methoxyph
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Mol. Formula:
C16H13ClN2O2
M.W.:
300.75
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
58.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA211756 Name:
4-(4-hydroxy-3-methoxybenzylidene)-1-(3-chlorophen
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Mol. Formula:
C17H13ClN2O4
M.W.:
344.75
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA209149 Name:
diethyl 4-(3-bromo-4-methylphenylamino)quinoline-3
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Mol. Formula:
C22H21BrN2O4
M.W.:
457.32
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
77.52
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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