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ALA4779321 Name:
3-Methyl-N-{[2-(2-{2-[(4-{1-[4-(trifluoromethoxy)b
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Mol. Formula:
C50H58F3N9O10S
M.W.:
1034.13
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4783485 Name:
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-phenylacetyl)am
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Mol. Formula:
C30H36N4O4S
M.W.:
548.71
Type:
Unknown
AlogP:
3.47
Polar Surface Area:
111.63
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4782620 Name:
[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-
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Mol. Formula:
C30H35N3O5S
M.W.:
549.69
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
108.83
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5285978 Name:
(2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4
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Mol. Formula:
C27H37N5O5S
M.W.:
543.69
Type:
---
AlogP:
1.92
Polar Surface Area:
140.73
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4639001 Name:
(2S,4R)-N-[(2-chlorophenyl)methyl]-4-hydroxy-1-[2-
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Mol. Formula:
C18H20ClN3O4
M.W.:
377.83
Type:
Unknown
AlogP:
1.46
Polar Surface Area:
95.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5283593 Name:
(2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)
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Mol. Formula:
C29H38FN5O5S
M.W.:
587.72
Type:
---
AlogP:
2.41
Polar Surface Area:
140.73
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5277721 Name:
(2S,4R)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-
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Mol. Formula:
C30H38N6O5S
M.W.:
594.74
Type:
---
AlogP:
2.21
Polar Surface Area:
164.52
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5274336 Name:
(2S,4R)-1-((R)-2-(1-fluorocyclopropanecarboxamido)
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Mol. Formula:
C29H38FN5O5S
M.W.:
587.72
Type:
---
AlogP:
2.41
Polar Surface Area:
140.73
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5274307 Name:
(S)-19-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5
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Mol. Formula:
C57H80N8O14S2
M.W.:
1165.44
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5269969 Name:
(2S,4R)-N-(2-(2-(2-(2-((6-chlorohexyl)oxy)ethoxy)e
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Mol. Formula:
C41H55ClN4O8S
M.W.:
799.43
Type:
---
AlogP:
5.60
Polar Surface Area:
139.76
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5269644 Name:
(2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)
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Mol. Formula:
C29H38FN5O5S
M.W.:
587.72
Type:
---
AlogP:
2.41
Polar Surface Area:
140.73
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5266076 Name:
methyl 4-(((2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydr
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Mol. Formula:
C20H28N2O5
M.W.:
376.45
Type:
---
AlogP:
1.49
Polar Surface Area:
95.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5201500 Name:
(2S)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-N-[[4-
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Mol. Formula:
C22H30N4O2S
M.W.:
414.58
Type:
---
AlogP:
3.10
Polar Surface Area:
88.32
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3683788 Name:
US9085572, 50
Mol. Formula:
C20H18ClN7O2
M.W.:
423.86
Type:
Small molecule
AlogP:
2.18
Polar Surface Area:
110.49
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3683787 Name:
US9085572, 48
Mol. Formula:
C21H17N5O2
M.W.:
371.40
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3683786 Name:
US9085572, 47
Mol. Formula:
C16H15N5O2
M.W.:
309.33
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA3683785 Name:
US9085572, 46
Mol. Formula:
C22H19N5O2
M.W.:
385.43
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3683784 Name:
US9085572, 43
Mol. Formula:
C14H12N4O2
M.W.:
268.28
Type:
Small molecule
AlogP:
1.11
Polar Surface Area:
83.80
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3683783 Name:
US9085572, 35
Mol. Formula:
C14H13N5O
M.W.:
267.29
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
89.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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