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ALA5269587 Name:
Gnetupendin B
Mol. Formula:
C22H20O6
M.W.:
380.40
Type:
---
AlogP:
3.98
Polar Surface Area:
110.38
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5208577 Name:
(3R,4R,5S)-4-Acetamido-5-(((4-bromonaphthalen-1-yl
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Mol. Formula:
C25H31BrN2O4
M.W.:
503.44
Type:
---
AlogP:
4.55
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5207590 Name:
(3R,4R,5S)-4-Acetamido-5-(((2-fluoro-5-methyl-[1,1
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Mol. Formula:
C28H35FN2O4
M.W.:
482.60
Type:
---
AlogP:
4.75
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5207195 Name:
(3R,4R,5S)-4-Acetamido-5-(((3'-chloro-[1,1'-biphen
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Mol. Formula:
C27H33ClN2O4
M.W.:
485.02
Type:
---
AlogP:
4.96
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5207060 Name:
(3R,4R,5S)-4-Acetamido-5-((benzofuran-5-ylmethyl)a
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Mol. Formula:
C23H30N2O5
M.W.:
414.50
Type:
---
AlogP:
3.38
Polar Surface Area:
100.80
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5207047 Name:
(3R,4R,5S)-4-Acetamido-5-((naphthalen-1-ylmethyl)a
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Mol. Formula:
C25H32N2O4
M.W.:
424.54
Type:
---
AlogP:
3.79
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5205952 Name:
(3R,4R,5S)-4-Acetamido-5-(((4'-(methoxycarbonyl)-[
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Mol. Formula:
C29H36N2O6
M.W.:
508.62
Type:
---
AlogP:
4.09
Polar Surface Area:
113.96
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5201314 Name:
(3R,4R,5S)-4-Acetamido-5-((2-chloro-4-(thiophen-2-
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Mol. Formula:
C25H31ClN2O4S
M.W.:
491.05
Type:
---
AlogP:
5.02
Polar Surface Area:
87.66
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5201108 Name:
(3R,4R,5S)-4-Acetamido-5-(((2,6-dimethyl-[1,1'-bip
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Mol. Formula:
C29H38N2O4
M.W.:
478.63
Type:
---
AlogP:
4.92
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5200599 Name:
(3R,4R,5S)-4-Acetamido-5-((2-methyl-4-(thiophen-2-
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Mol. Formula:
C26H34N2O4S
M.W.:
470.64
Type:
---
AlogP:
4.67
Polar Surface Area:
87.66
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5200099 Name:
(3R,4R,5S)-4-Acetamido-5-(((3-fluoro-[1,1'-bipheny
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Mol. Formula:
C27H33FN2O4
M.W.:
468.57
Type:
---
AlogP:
4.44
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5199555 Name:
(3R,4R,5S)-4-Acetamido-5-(((4'-chloro-[1,1'-biphen
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Mol. Formula:
C27H33ClN2O4
M.W.:
485.02
Type:
---
AlogP:
4.96
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5199263 Name:
(3R,4R,5S)-4-Acetamido-5-((2,6-fluorine-4-(thiophe
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Mol. Formula:
C25H30F2N2O4S
M.W.:
492.59
Type:
---
AlogP:
4.64
Polar Surface Area:
87.66
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5198401 Name:
(3R,4R,5S)-4-Acetamido-5-(((3-methyl-[1,1'-bipheny
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Mol. Formula:
C28H36N2O4
M.W.:
464.61
Type:
---
AlogP:
4.61
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5198125 Name:
(3R,4R,5S)-4-Acetamido-5-(((2'-methoxy-[1,1'-biphe
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Mol. Formula:
C28H36N2O5
M.W.:
480.61
Type:
---
AlogP:
4.31
Polar Surface Area:
96.89
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5197852 Name:
(3R,4R,5S)-5-(((1H-Indol-6-yl)methyl)amino)-4-acet
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Mol. Formula:
C23H31N3O4
M.W.:
413.52
Type:
---
AlogP:
3.12
Polar Surface Area:
103.45
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5197508 Name:
(3R,4R,5S)-4-Acetamido-5-(((4'-fluoro-[1,1'-biphen
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Mol. Formula:
C27H33FN2O4
M.W.:
468.57
Type:
---
AlogP:
4.44
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5197351 Name:
(3R,4R,5S)-4-Acetamido-5-((2-chloro-4-(thiophen-3-
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Mol. Formula:
C25H31ClN2O4S
M.W.:
491.05
Type:
---
AlogP:
5.02
Polar Surface Area:
87.66
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5196665 Name:
(3R,4R,5S)-4-Acetamido-5-((2-methoxy-4-(thiophen-3
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Mol. Formula:
C26H34N2O5S
M.W.:
486.63
Type:
---
AlogP:
4.38
Polar Surface Area:
96.89
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5196520 Name:
(3R,4R,5S)-4-Acetamido-5-((4-(naphthalen-2-yl)benz
Show More⌵
Mol. Formula:
C31H36N2O4
M.W.:
500.64
Type:
---
AlogP:
5.46
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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