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ALA4483639 Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-8-Amino-12-hyd
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Mol. Formula:
C31H48N2O3S
M.W.:
528.80
Type:
Unknown
AlogP:
6.31
Polar Surface Area:
85.44
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4476322 Name:
(1S,3aR,3bR,5S,5aR,11aR,11bR,13R,13aR)-3a,3b,6,6,1
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Mol. Formula:
C32H50N2O3
M.W.:
510.76
Type:
Unknown
AlogP:
5.85
Polar Surface Area:
75.47
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4475180 Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-9-Hydroxyme
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Mol. Formula:
C32H51NO5
M.W.:
529.76
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
95.95
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4540586 Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-3a,3b,6,6,1
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Mol. Formula:
C31H50N2O3
M.W.:
498.75
Type:
Unknown
AlogP:
5.79
Polar Surface Area:
78.37
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4537930 Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-3a,3b,6,6,1
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Mol. Formula:
C32H49F3N2O3
M.W.:
566.75
Type:
Unknown
AlogP:
6.81
Polar Surface Area:
78.37
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4532494 Name:
NA
Mol. Formula:
C34H51NO5S
M.W.:
585.85
Type:
Unknown
AlogP:
6.91
Polar Surface Area:
85.72
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4552137 Name:
NA
Mol. Formula:
C38H56N2O4
M.W.:
604.88
Type:
Unknown
AlogP:
6.74
Polar Surface Area:
87.74
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4529496 Name:
NA
Mol. Formula:
C34H54N2O5
M.W.:
570.82
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
104.67
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4528526 Name:
NA
Mol. Formula:
C40H58N2O5
M.W.:
646.91
Type:
Unknown
AlogP:
7.43
Polar Surface Area:
93.81
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4515114 Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-3a,
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Mol. Formula:
C32H50N2O3S
M.W.:
542.83
Type:
Unknown
AlogP:
6.77
Polar Surface Area:
71.45
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4581114 Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-3a,
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Mol. Formula:
C37H52N2O3S
M.W.:
604.90
Type:
Unknown
AlogP:
8.47
Polar Surface Area:
71.45
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4586134 Name:
NA
Mol. Formula:
C38H53NO4S
M.W.:
619.91
Type:
Unknown
AlogP:
8.41
Polar Surface Area:
68.65
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4463965 Name:
NA
Mol. Formula:
C36H52N2O5S
M.W.:
624.89
Type:
Unknown
AlogP:
6.40
Polar Surface Area:
122.48
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4461804 Name:
NA
Mol. Formula:
C36H50FNO3
M.W.:
563.80
Type:
Unknown
AlogP:
7.89
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4464467 Name:
(1S,3aR,3bR,5R,5aR,10aR,10bR,12R,12aR)-3a,3b,6,6,1
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Mol. Formula:
C31H49NO4
M.W.:
499.74
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
75.72
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4472491 Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-12-Hydroxy-8-i
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Mol. Formula:
C34H53NO3S
M.W.:
555.87
Type:
Unknown
AlogP:
7.85
Polar Surface Area:
59.42
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4471696 Name:
NA
Mol. Formula:
C37H53NO4
M.W.:
575.83
Type:
Unknown
AlogP:
7.76
Polar Surface Area:
71.55
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4473465 Name:
(1S,3aR,3bR,5aR,10aR,10bR,12R,12aR)-8-Bromo-12-hyd
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Mol. Formula:
C31H46BrNO3S
M.W.:
592.68
Type:
Unknown
AlogP:
7.49
Polar Surface Area:
59.42
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4566357 Name:
NA
Mol. Formula:
C36H50ClNO3
M.W.:
580.25
Type:
Unknown
AlogP:
8.41
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4587178 Name:
NA
Mol. Formula:
C36H49ClFNO3
M.W.:
598.24
Type:
Unknown
AlogP:
8.55
Polar Surface Area:
62.32
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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