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Type:
---
AlogP:
3.93
Polar Surface Area:
99.18
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
58.64
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4081326 Name:
(5R)-5-ethyl-3-(6-((4-methyl-3-(methyloxy)phenyl)o
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Cas Number:
1311136-84-1
Mol. Formula:
C18H19N3O4
M.W.:
341.37
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
80.76
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4128231 Name:
(R/S)-3-[3-(Tert-butylamino)-2-hydroxypropoxy]-5-m
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Mol. Formula:
C21H26ClNO4
M.W.:
391.90
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
71.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4126588 Name:
(R/S)-4-(2-hydroxy-3-(4-(pyridin-2-yl)piperazin-1-
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Mol. Formula:
C25H26ClN3O4
M.W.:
467.95
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
79.04
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4099053 Name:
(1-{7-chloro-3-[(3-chlorophenyl)sulfonyl]quinolin-
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Mol. Formula:
C21H20Cl2N2O3S
M.W.:
451.38
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
70.50
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4072908 Name:
3-({7-chloro-4-[4-(hydroxymethyl)piperidin-1-yl]qu
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Mol. Formula:
C22H19ClFN3O3S
M.W.:
459.93
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
94.29
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4075710 Name:
(2S)-((8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,
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Mol. Formula:
C30H36N2O6S
M.W.:
552.69
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
127.00
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3781997 Name:
2-amino-2-(2-(4'-(2-(2-hydroxypropyl)oxazol-4-yl)b
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Mol. Formula:
C23H29ClN2O4
M.W.:
432.95
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
112.74
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3629008 Name:
[18F]-3-(2-fluoroethoxy)-2-((4-(1-methyl-4-(pyridi
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Mol. Formula:
C27H23FN4O2
M.W.:
453.51
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
62.06
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3629007 Name:
[18F]-4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)-2-((4
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Mol. Formula:
C31H31FN4O4
M.W.:
541.61
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
80.52
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3629006 Name:
[18F]-4-((2-fluoroethoxy)methyl)-2-((4-(1-methyl-4
Show More⌵
Mol. Formula:
C28H25FN4O2
M.W.:
467.53
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
62.06
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3629005 Name:
[18F]-4-(2-fluoroethoxy)-2-((4-(1-methyl-4-(pyridi
Show More⌵
Mol. Formula:
C27H23FN4O2
M.W.:
453.51
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
62.06
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3629004 Name:
[18F]-4-(3-fluoropropyl)-2-((4-(1-methyl-4-(pyridi
Show More⌵
Mol. Formula:
C28H25FN4O
M.W.:
451.54
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
52.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3629003 Name:
[18F]-4-(fluoromethyl)-2-((4-(1-methyl-4-(pyridin-
Show More⌵
Mol. Formula:
C26H21FN4O
M.W.:
423.48
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
52.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3629002 Name:
[18F]-4-fluoro-2-((4-(1-methyl-4-(pyridin-4-yl)-1H
Show More⌵
Mol. Formula:
C25H19FN4O
M.W.:
409.45
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
52.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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