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ALA4878570 Name:
1-(3-(1,3-di(9H-carbazol-9-yl)propan-2-yloxy)-2-hy
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Mol. Formula:
C36H38N4O4
M.W.:
590.72
Type:
Unknown
AlogP:
5.57
Polar Surface Area:
91.89
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4547807 Name:
N-(1-Benzylpiperidin-4-yl)-7-benzyloxy-2-(4-phenyl
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Mol. Formula:
C37H40N6O
M.W.:
584.77
Type:
Unknown
AlogP:
6.61
Polar Surface Area:
56.76
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5207209 Name:
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5
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Mol. Formula:
C14H23N5O6
M.W.:
357.37
Type:
---
AlogP:
-2.64
Polar Surface Area:
185.95
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5200086 Name:
4-amino-5-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)
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Mol. Formula:
C22H31N9O7
M.W.:
533.55
Type:
---
AlogP:
-2.97
Polar Surface Area:
241.94
HBA:
16
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5193031 Name:
(2S)-2-amino-4-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy
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Mol. Formula:
C26H38N10O9
M.W.:
634.65
Type:
---
AlogP:
-3.46
Polar Surface Area:
296.47
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5192832 Name:
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5
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Mol. Formula:
C24H34N10O9
M.W.:
606.60
Type:
---
AlogP:
-3.89
Polar Surface Area:
296.47
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5191050 Name:
(2S)-2-amino-5-[[[4-amino-1-[(2R,4S,5R)-4-hydroxy-
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Mol. Formula:
C26H38N10O9
M.W.:
634.65
Type:
---
AlogP:
-3.20
Polar Surface Area:
305.26
HBA:
18
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5189315 Name:
4-amino-5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,
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Mol. Formula:
C20H26N8O7S
M.W.:
522.54
Type:
---
AlogP:
-2.26
Polar Surface Area:
229.91
HBA:
16
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5189142 Name:
4-amino-5-[3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-
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Mol. Formula:
C22H30N8O7S
M.W.:
550.60
Type:
---
AlogP:
-1.48
Polar Surface Area:
229.91
HBA:
16
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5188584 Name:
(2S)-2-amino-4-[5-[6-amino-3-[(2R,4S,5R)-4-hydroxy
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Mol. Formula:
C27H43N11O9
M.W.:
665.71
Type:
---
AlogP:
-3.22
Polar Surface Area:
297.49
HBA:
17
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5188258 Name:
(2S)-2-amino-6-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5
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Mol. Formula:
C16H27N5O6
M.W.:
385.42
Type:
---
AlogP:
-1.86
Polar Surface Area:
185.95
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5187655 Name:
4-amino-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3
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Mol. Formula:
C20H27N9O7
M.W.:
505.49
Type:
---
AlogP:
-3.40
Polar Surface Area:
241.94
HBA:
16
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5187336 Name:
(2S)-2-amino-4-[2-[4-amino-1-[(2R,4S,5R)-4-hydroxy
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Mol. Formula:
C25H36N10O9S
M.W.:
652.69
Type:
---
AlogP:
-3.30
Polar Surface Area:
296.47
HBA:
19
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5178532 Name:
(2S)-2-amino-6-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5
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Mol. Formula:
C16H26N4O6S
M.W.:
402.47
Type:
---
AlogP:
-0.72
Polar Surface Area:
173.92
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5174871 Name:
(2S)-2-amino-4-[2-[4-amino-1-[(2R,4S,5R)-4-hydroxy
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Mol. Formula:
C25H36N10O9
M.W.:
620.62
Type:
---
AlogP:
-3.85
Polar Surface Area:
296.47
HBA:
18
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5173333 Name:
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5
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Mol. Formula:
C14H22N4O6S
M.W.:
374.42
Type:
---
AlogP:
-1.50
Polar Surface Area:
173.92
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5172874 Name:
4-amino-5-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)
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Mol. Formula:
C22H30N8O7S
M.W.:
550.60
Type:
---
AlogP:
-1.83
Polar Surface Area:
229.91
HBA:
16
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5170757 Name:
4-amino-5-[2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)
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Mol. Formula:
C21H28N8O7S
M.W.:
536.57
Type:
---
AlogP:
-2.22
Polar Surface Area:
229.91
HBA:
16
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4558658 Name:
tert-butyl 4-((2-((4-fluorobenzyl)amino)-6,7-dimet
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Mol. Formula:
C27H34FN5O4
M.W.:
511.60
Type:
Unknown
AlogP:
5.21
Polar Surface Area:
97.84
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4537137 Name:
4-((1-benzylpiperidin-4-yl)amino)-6-methoxy-2-(4-p
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Mol. Formula:
C31H36N6O2
M.W.:
524.67
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
76.99
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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