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ALA4514504 Name:
(1R,3aS,7aR)-Octahydro-1,6-epoxyisobenzofuran-5-yl
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Mol. Formula:
C33H42N4O7S2
M.W.:
670.85
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
139.32
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4514317 Name:
2-(2-Amino-6-hydroxy-9H-purin-9-yl)-N-((2S,3R)-3-h
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Mol. Formula:
C27H32N8O7S
M.W.:
612.67
Type:
Unknown
AlogP:
1.46
Polar Surface Area:
219.70
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4514146 Name:
(S)-2-(4-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-
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Mol. Formula:
C39H62N2O6
M.W.:
654.93
Type:
Unknown
AlogP:
7.21
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4514057 Name:
(S)-2-(4-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-
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Mol. Formula:
C41H66N2O6
M.W.:
682.99
Type:
Unknown
AlogP:
7.99
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4475878 Name:
2-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-N-((2
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Mol. Formula:
C26H31FN6O7S
M.W.:
590.63
Type:
Unknown
AlogP:
1.31
Polar Surface Area:
190.76
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4475571 Name:
11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(butyr
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Mol. Formula:
C45H75NO5
M.W.:
710.10
Type:
Unknown
AlogP:
11.21
Polar Surface Area:
92.70
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4475051 Name:
11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2,2,6a,6b
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Mol. Formula:
C44H73NO5
M.W.:
696.07
Type:
Unknown
AlogP:
10.82
Polar Surface Area:
92.70
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4475047 Name:
N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsu
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Mol. Formula:
C28H33N7O6S
M.W.:
595.68
Type:
Unknown
AlogP:
2.48
Polar Surface Area:
173.45
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4475010 Name:
(S)-2-(11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10
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Mol. Formula:
C52H88N2O6
M.W.:
837.28
Type:
Unknown
AlogP:
12.13
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4474754 Name:
2-(6-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-acet
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Mol. Formula:
C40H64N2O6
M.W.:
668.96
Type:
Unknown
AlogP:
7.60
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4474316 Name:
(S)-2-(4-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-
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Mol. Formula:
C45H74N2O6
M.W.:
739.10
Type:
Unknown
AlogP:
9.40
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4539603 Name:
2-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(11-((S
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Mol. Formula:
C54H82N2O8
M.W.:
887.26
Type:
Unknown
AlogP:
11.56
Polar Surface Area:
159.10
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4538819 Name:
2-(2-Amino-6-methoxy-9H-purin-9-yl)-N-((2S,3R)-3-h
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Mol. Formula:
C29H37N7O6S
M.W.:
611.73
Type:
Unknown
AlogP:
1.86
Polar Surface Area:
174.79
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4536902 Name:
N-((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)
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Mol. Formula:
C28H35N7O5S
M.W.:
581.70
Type:
Unknown
AlogP:
1.85
Polar Surface Area:
165.56
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4525077 Name:
N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenyl
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Mol. Formula:
C28H34N6O5S
M.W.:
566.68
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
139.54
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4524851 Name:
(S)-2-(4-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-
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Mol. Formula:
C46H68N2O6
M.W.:
745.06
Type:
Unknown
AlogP:
9.14
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4524464 Name:
2-(4-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(but
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Mol. Formula:
C40H64N2O6
M.W.:
668.96
Type:
Unknown
AlogP:
7.60
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4524388 Name:
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-y
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Mol. Formula:
C26H30FN5O8S
M.W.:
591.62
Type:
Unknown
AlogP:
1.02
Polar Surface Area:
184.71
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4522803 Name:
N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenyl
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Mol. Formula:
C29H36N6O5S
M.W.:
580.71
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
139.54
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4522733 Name:
5-((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(4-(carb
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Mol. Formula:
C41H64N2O8
M.W.:
712.97
Type:
Unknown
AlogP:
7.05
Polar Surface Area:
159.10
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
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