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ALA5284763 Name:
2-(4-hydroxy-3-methoxybenzylidene)-7,7-dimethyl-8,
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Mol. Formula:
C21H20O5
M.W.:
352.39
Type:
---
AlogP:
4.12
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5284184 Name:
2-(3-hydroxybenzylidene)-7,7-dimethyl-8,9-dihydro-
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Mol. Formula:
C20H18O4
M.W.:
322.36
Type:
---
AlogP:
4.11
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5288910 Name:
2-benzylidene-7,7-dimethyl-8,9-dihydro-2H-furo[2,3
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Mol. Formula:
C20H18O3
M.W.:
306.36
Type:
---
AlogP:
4.41
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4790748 Name:
[2-oxo-3-(2-phenylethyl)-1,3-benzoxazol-4-yl]-2-me
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Mol. Formula:
C22H19NO5S
M.W.:
409.46
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
78.51
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4781766 Name:
N-(p-methyl)-benzyl-4-(1H-(1-methyl)-imidazole-4-s
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Mol. Formula:
C19H17N3O5S
M.W.:
399.43
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
96.33
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3736069 Name:
(R/S)-7-[(3-(1-(Methylamino)ethyl)phenoxy)methyl]q
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Mol. Formula:
C19H21N3O
M.W.:
307.40
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3736490 Name:
7-[((5-((Methylamino)methyl)pyridin-3-yl)oxy)methy
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Mol. Formula:
C17H21Cl3N4O
M.W.:
403.74
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
73.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3735289 Name:
7-[(4-Chloro-3-((methylamino)methyl)phenoxy)methyl
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Mol. Formula:
C18H20Cl3N3O
M.W.:
400.74
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3735022 Name:
7-[(4-Fluoro-3-((methylamino)methyl)phenoxy)methyl
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Mol. Formula:
C18H20Cl2FN3O
M.W.:
384.28
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3735512 Name:
7-[((3-((Methylamino)methyl)phenyl)amino)methyl]qu
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Mol. Formula:
C18H23Cl3N4
M.W.:
401.77
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
62.97
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3735825 Name:
7-[((3-((Dimethylamino)methyl)phenyl)amino)methyl]
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Mol. Formula:
C19H25Cl3N4
M.W.:
415.80
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
54.18
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3736384 Name:
7-[(4-(Methylamino)methyl)phenoxy)methyl]quinolin-
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Mol. Formula:
C18H21Cl2N3O
M.W.:
366.29
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3736445 Name:
7-[(4-(Dimethylamino)methyl)phenoxy)methyl]quinoli
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Mol. Formula:
C19H23Cl2N3O
M.W.:
380.32
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
51.38
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3736260 Name:
7-((3-(2-(Dimethylamino)ethoxy)phenoxy)methyl)quin
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Mol. Formula:
C20H25Cl2N3O2
M.W.:
410.35
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
60.61
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3736055 Name:
7-[(3-(3-(Dimethylamino)propyl)phenoxy)methyl]quin
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Mol. Formula:
C21H27Cl2N3O
M.W.:
408.37
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
51.38
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3736101 Name:
7-((3-(Dimethylamino)phenoxy)methyl)quinolin-2-ami
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Mol. Formula:
C18H21Cl2N3O
M.W.:
366.29
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
51.38
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3735076 Name:
7-[(Pyridin-3-yloxy)methyl]quinolin-2-amine dihydr
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Mol. Formula:
C15H15Cl2N3O
M.W.:
324.21
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
61.03
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3736444 Name:
7-[(3-Aminomethyl)phenoxy)methyl]quinolin-2-amine
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Mol. Formula:
C17H19Cl2N3O
M.W.:
352.27
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
74.16
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3736143 Name:
7-[(3-(Methylamino)methyl)phenoxy)methyl]quinolin-
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Mol. Formula:
C18H21Cl2N3O
M.W.:
366.29
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3735617 Name:
7-[(3-(Dimethylamino)methyl)phenoxy)methyl]quinoli
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Mol. Formula:
C19H23Cl2N3O
M.W.:
380.32
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
51.38
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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