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ALA4514473 Name:
(S)-1-(4-(1H-pyrazol-1-yl)benzyl)-6-fluoro-4-oxo-7
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Mol. Formula:
C25H24FN5O3
M.W.:
461.50
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
101.18
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4483636 Name:
N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxyphenyl)
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Mol. Formula:
C25H24N6O2
M.W.:
440.51
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
90.89
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4476036 Name:
5,5-difluoro-1,9-dimethyl-10-(4-(3-(1-methylpyridi
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Mol. Formula:
C60H63BF2I3N5O3
M.W.:
1331.72
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4475664 Name:
4-(4-(3-(1H-Imidazol-1-yl)propylamino)-3-(1,3,4-ox
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Mol. Formula:
C24H19N7O
M.W.:
421.46
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
105.45
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4475343 Name:
(R)-1-([1,1'-biphenyl]-4-ylmethyl)-7-(3-carbamoylp
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Mol. Formula:
C29H26FN3O5
M.W.:
515.54
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
114.86
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4474303 Name:
1-([1,1'-biphenyl]-4-ylmethyl)-7-((2-aminoethyl)am
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Mol. Formula:
C25H22FN3O3
M.W.:
431.47
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
97.35
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4534576 Name:
N-(2-(1H-Imidazol-1-yl)ethyl)-6-(4-methoxyphenyl)-
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Mol. Formula:
C23H20N6O2
M.W.:
412.45
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
90.89
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4531413 Name:
N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxy-3-meth
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Mol. Formula:
C25H24N6O2
M.W.:
440.51
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
90.89
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4531237 Name:
6-(4-Methoxyphenyl)-N-methyl-3-(1,3,4-oxadiazol-2-
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Mol. Formula:
C19H16N4O2
M.W.:
332.36
Type:
Unknown
AlogP:
4.00
Polar Surface Area:
73.07
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4530821 Name:
(R)-1-([1,1'-biphenyl]-4-ylmethyl)-7-(3-aminopyrro
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Mol. Formula:
C27H24FN3O3
M.W.:
457.51
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
88.56
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4558879 Name:
2-(1,3-dihydroxypropan-2-ylamino)-7,10-dihydroxy-8
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Mol. Formula:
C29H28N4O11
M.W.:
608.56
Type:
Unknown
AlogP:
-0.73
Polar Surface Area:
241.20
HBA:
13
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4558621 Name:
6-(3,4-Dimethoxyphenyl)-N-(2-morpholinoethyl)-3-(1
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Mol. Formula:
C25H27N5O4
M.W.:
461.52
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
94.77
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4551923 Name:
(S)-7-(3-(aminomethyl)pyrrolidin-1-yl)-6-fluoro-4-
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Mol. Formula:
C23H21FN6O4
M.W.:
464.46
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
140.37
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4570163 Name:
1-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)((
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Mol. Formula:
C34H25ClN4O2S
M.W.:
589.12
Type:
Unknown
AlogP:
8.87
Polar Surface Area:
72.20
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4570069 Name:
2,3-Dimethoxy-12-(2-(methylamino)ethyl)-[1,3]dioxo
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Mol. Formula:
C23H22N2O5
M.W.:
406.44
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
70.95
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4570067 Name:
6-(3,4-Dimethoxyphenyl)-N-(3-morpholinopropyl)-3-(
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Mol. Formula:
C26H29N5O4
M.W.:
475.55
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
94.77
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4530742 Name:
(R)-1-([1,1'-biphenyl]-4-ylmethyl)-6-fluoro-7-(3-(
Show More⌵
Mol. Formula:
C29H27FN2O5
M.W.:
502.54
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
92.00
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4526574 Name:
1-([1,1'-biphenyl]-4-ylmethyl)-6-fluoro-7-((3-(met
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Mol. Formula:
C27H26FN3O3
M.W.:
459.52
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
83.36
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4525971 Name:
(S)-1-(4-(1H-pyrazol-1-yl)benzyl)-7-(3-(aminomethy
Show More⌵
Mol. Formula:
C26H26FN5O4
M.W.:
491.52
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
115.61
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4519022 Name:
N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxy-2-meth
Show More⌵
Mol. Formula:
C25H24N6O2
M.W.:
440.51
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
90.89
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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