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ALA4753259 Name:
6-Bromo-N,3-dimethyl-2-phenyl-N-[2-(pyridin-2-yl)e
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Mol. Formula:
C25H22BrN3O
M.W.:
460.38
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
46.09
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3986829 Name:
2-(3-(((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydr
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Mol. Formula:
C28H35ClO5
M.W.:
487.04
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
86.99
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3985882 Name:
7-((1R,2S,3R)-3-hydroxy-2-(4-(1-hydroxycyclobutyl)
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Mol. Formula:
C22H28O5
M.W.:
372.46
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
94.83
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3985691 Name:
7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcycl
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Mol. Formula:
C28H41NO4
M.W.:
455.64
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
77.84
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3984757 Name:
methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(h
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Mol. Formula:
C27H39ClO4
M.W.:
463.06
Type:
Small molecule
AlogP:
6.05
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3984438 Name:
3-[(3S,5aR,6R,7R,8aS)-7-Hydroxy-6-[(E,3R)-3-hydrox
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Mol. Formula:
C22H30O6
M.W.:
390.48
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
96.22
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3984132 Name:
methyl 2-(3-(((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(
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Mol. Formula:
C29H37ClO5
M.W.:
501.06
Type:
Small molecule
AlogP:
5.56
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3982726 Name:
4-((2R,4aR,5R,6R,7aS)-6-hydroxy-5-((R,E)-3-hydroxy
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Cas Number:
72657-07-9
Mol. Formula:
C22H30O6
M.W.:
390.48
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
96.22
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3982222 Name:
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(3-(hydroxy(
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Mol. Formula:
C26H37ClO4
M.W.:
449.03
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3978583 Name:
methyl 7-((1R,2S,3R)-3-hydroxy-2-(4-(1-hydroxycycl
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Mol. Formula:
C23H30O5
M.W.:
386.49
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
118.80
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3973644 Name:
2-(4-((1R,2S,3R,5R)-5-chloro-2-(4-(cyclohexyl(hydr
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Mol. Formula:
C24H35ClO5
M.W.:
438.99
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
86.99
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3973312 Name:
7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydrox
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Mol. Formula:
C22H31ClO4
M.W.:
394.94
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3972583 Name:
US9422273, 12a
Mol. Formula:
C29H38F4N4O5S
M.W.:
630.70
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
121.61
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3972401 Name:
7-((1R,2S,3R)-3-hydroxy-2-(3-(hydroxy(1-propylcycl
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Mol. Formula:
C26H38O5
M.W.:
430.59
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
94.83
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3805455 Name:
2-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-(5-phenoxypentyl
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Mol. Formula:
C23H29NO5S
M.W.:
431.55
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
88.88
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3805169 Name:
2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-5-phenoxy-
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Mol. Formula:
C23H27NO5S
M.W.:
429.54
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
88.88
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3805176 Name:
2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E)-4-phenoxy-
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Mol. Formula:
C22H25NO5S
M.W.:
415.51
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
88.88
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3804978 Name:
2-{(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(1E,3R)-3-hydro
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Mol. Formula:
C22H25NO6S
M.W.:
431.51
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
109.11
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3805134 Name:
4-((2S,4aR,5R,6R,7aS)-6-hydroxy-5-((R,E)-3-hydroxy
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Mol. Formula:
C22H30O6
M.W.:
390.48
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
96.22
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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