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ALA4513589 Name:
(R)-3-((1-Aminocyclopropyl)methyl)-8-(6-methyl-4-o
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Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
Unknown
AlogP:
2.65
Polar Surface Area:
117.83
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4513415 Name:
[2-(6-Methyl-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-penta
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Mol. Formula:
C23H25N7O2
M.W.:
431.50
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
89.70
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4483071 Name:
[7-Chloro-2-(6-methyl-7,8-dihydro-6H-9-oxa-1,2,3a,
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Mol. Formula:
C23H24ClFN8O
M.W.:
482.95
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
92.50
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4476513 Name:
2-(tert-butylamino)-8-((R)-6-methyl-4-oxo-1,4,5,6-
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Mol. Formula:
C25H32N6O3
M.W.:
464.57
Type:
Unknown
AlogP:
2.74
Polar Surface Area:
104.28
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4476426 Name:
Breitfussin E
Mol. Formula:
C16H11Br2N3O2
M.W.:
437.09
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
66.84
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4475097 Name:
Breitfussin B
Mol. Formula:
C16H11Br2N3O2
M.W.:
437.09
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
66.84
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4540910 Name:
(S)-3,4-dichloro-2-(4-methoxybut-1-ynyl)-1-(piperi
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Mol. Formula:
C18H20Cl2N4O2
M.W.:
395.29
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
82.17
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4522524 Name:
(R)-2-(tert-Butylamino)-3-methyl-9-(6-methyl-4-oxo
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Mol. Formula:
C20H23N5O2
M.W.:
365.44
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
91.29
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4521827 Name:
N-cyclohexyl-7-(7-methyl-8,9-dihydro-7H-[1,4]oxazi
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Mol. Formula:
C23H25N7O
M.W.:
415.50
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
80.47
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4521605 Name:
1-[2-(6-Methyl-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pen
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Mol. Formula:
C22H24N8O
M.W.:
416.49
Type:
Unknown
AlogP:
2.10
Polar Surface Area:
97.70
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4533366 Name:
(S)-2-(5-amino-4,4-dimethyl-5-oxopent-1-ynyl)-3,4-
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Mol. Formula:
C20H23Cl2N5O2
M.W.:
436.34
Type:
Unknown
AlogP:
2.62
Polar Surface Area:
116.03
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4530924 Name:
(R)-2-(tert-Butylamino)-3-methyl-8-(6-methyl-4-oxo
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Mol. Formula:
C19H22N6O2
M.W.:
366.43
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
104.70
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4561045 Name:
6-Methyl-3-(8-piperazin-1-yl-quinolin-2-yl)-7,8-di
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Mol. Formula:
C21H22N8O
M.W.:
402.46
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
83.71
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4559238 Name:
(R)-3-Methyl-8-(6-methyl-4-oxo-1,4,5,6-tetrahydrop
Show More⌵
Mol. Formula:
C21H24N4O2
M.W.:
364.45
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
79.78
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4556760 Name:
2-(tert-Butylamino)-8-((R)-6-methyl-4-oxo-1,4,5,6-
Show More⌵
Mol. Formula:
C24H29N5O3
M.W.:
435.53
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
101.04
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4556293 Name:
{2-[6-(2-Methoxy-ethyl)-7,8-dihydro-6H-9-oxa-1,2,3
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Mol. Formula:
C25H30N8O2
M.W.:
474.57
Type:
Unknown
AlogP:
2.60
Polar Surface Area:
101.73
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4555990 Name:
7-(7-methyl-8,9-dihydro-7H-[1,4]oxazino[2,3-d][1,2
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Mol. Formula:
C23H26N8O
M.W.:
430.52
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
92.50
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4555884 Name:
Breitfussin A
Mol. Formula:
C16H11BrIN3O2
M.W.:
484.09
Type:
Unknown
AlogP:
5.19
Polar Surface Area:
66.84
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
91.81
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4567516 Name:
[2-(6-Isopropyl-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pe
Show More⌵
Mol. Formula:
C25H30N8O
M.W.:
458.57
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
92.50
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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