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ALA4475557 Name:
N-{4-[3,5-Bis(trifluoromethyl)phenoxy]phenyl}-2-ch
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Mol. Formula:
C21H11ClF7NO2
M.W.:
477.76
Type:
Unknown
AlogP:
7.56
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4745246 Name:
5-[(4R,9aS)-4-methyl-8-(5,6,7,8-tetrahydro-2,7-nap
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Mol. Formula:
C26H29N7
M.W.:
439.57
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
71.32
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4760220 Name:
5-[(4R,9aS)-4-methyl-8-(1,2,3,4-tetrahydroisoquino
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Mol. Formula:
C27H30N6
M.W.:
438.58
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
58.43
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4795549 Name:
5-[(4S)-8-[5-[(6R)-6-amino-1,4-oxazepan-4-yl]-3-me
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Mol. Formula:
C29H36N8O
M.W.:
513.67
Type:
Unknown
AlogP:
2.37
Polar Surface Area:
97.78
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4799678 Name:
5-[(4R,9aR)-4-methyl-8-(5,6,7,8-tetrahydro-2,7-nap
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Mol. Formula:
C26H29N7
M.W.:
439.57
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
71.32
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4100834 Name:
6-(3-(Piperidin-1-yl)propoxy)-2-(4-(3-(piperidin-1
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Mol. Formula:
C29H39N3O3
M.W.:
477.65
Type:
Small molecule
AlogP:
6.00
Polar Surface Area:
50.97
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4100657 Name:
4-((Dimethylamino)methyl)-N-(3-(6-(3-(pyrrolidin-1
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Mol. Formula:
C30H34N4O3
M.W.:
498.63
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
70.84
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4100138 Name:
1-Benzyl-N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo
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Mol. Formula:
C32H38N4O2
M.W.:
510.68
Type:
Small molecule
AlogP:
6.44
Polar Surface Area:
53.77
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4099716 Name:
6-(3-(1H-imidazol-1yl)propoxy)-2-(4-(3-(1H-imidazo
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Mol. Formula:
C25H25N5O3
M.W.:
443.51
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
80.13
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4091970 Name:
N-(3-(6-(3-(Pyrrolidin-1-yl)propoxy)benzo[d]oxazol
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Mol. Formula:
C27H27N3O3
M.W.:
441.53
Type:
Small molecule
AlogP:
5.61
Polar Surface Area:
67.60
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4088775 Name:
6-(3-(Pyrrolidin-1-yl)propoxy)-2-phenylbenzo[d]oxa
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Mol. Formula:
C20H22N2O2
M.W.:
322.41
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
38.50
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4088644 Name:
N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo[d]oxazol
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Mol. Formula:
C25H32N4O2
M.W.:
420.56
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
62.56
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4074072 Name:
2-(4-(3-Pyrrolidin-1-yl)propoxyphenyl)benzo[d]oxaz
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Mol. Formula:
C20H22N2O2
M.W.:
322.41
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
38.50
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4073879 Name:
6-(3-(pyrrolidin-1-yl)propoxy)-2-(3-(1,2,3,6-tetra
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Mol. Formula:
C25H29N3O2
M.W.:
403.53
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
50.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4071152 Name:
1-(3-(4-(6-(3-(3-Aminopyrrolidin-1-yl)propoxy)benz
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Mol. Formula:
C27H37N5O3
M.W.:
479.63
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
103.01
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4062511 Name:
4-Amino-N-(3-(6-(3-pyrrolidin-1-yl)propoxy)benzo[d
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Mol. Formula:
C27H28N4O3
M.W.:
456.55
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
93.62
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4060540 Name:
6-(3-(1H-imidazol-1-yl)propoxy)-2-phenylbenzo[d]ox
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Mol. Formula:
C19H17N3O2
M.W.:
319.36
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
53.08
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4084216 Name:
(4-Aminomethyl)-N-(3-(6-(3-(pyrrolidin-1-yl)propox
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Mol. Formula:
C28H30N4O3
M.W.:
470.57
Type:
Small molecule
AlogP:
5.07
Polar Surface Area:
93.62
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4082132 Name:
1-Methyl-N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo
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Mol. Formula:
C26H34N4O2
M.W.:
434.58
Type:
Small molecule
AlogP:
4.87
Polar Surface Area:
53.77
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4081700 Name:
6-(3-(Pyrrolidin-1-yl)propoxy)-2-(4-(trifluorometh
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Mol. Formula:
C21H21F3N2O2
M.W.:
390.41
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
38.50
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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