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ALA4529763 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-((3aR,
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Mol. Formula:
C35H45NO8
M.W.:
607.74
Type:
Unknown
AlogP:
5.98
Polar Surface Area:
111.60
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4529116 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-((3aR,
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Mol. Formula:
C35H43NO9
M.W.:
621.73
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
128.67
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4515443 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-((3aR,
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Mol. Formula:
C35H43NO9
M.W.:
621.73
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
128.67
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4576541 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-((1R,2
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Mol. Formula:
C37H49NO8
M.W.:
635.80
Type:
Unknown
AlogP:
6.62
Polar Surface Area:
111.60
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4576077 Name:
(S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholino
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Mol. Formula:
C41H56N2O7
M.W.:
688.91
Type:
Unknown
AlogP:
6.64
Polar Surface Area:
86.77
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4588417 Name:
(S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholino
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Mol. Formula:
C40H54N2O8
M.W.:
690.88
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
103.84
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4582138 Name:
(2S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholin
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Mol. Formula:
C40H56N2O8
M.W.:
692.89
Type:
Unknown
AlogP:
5.59
Polar Surface Area:
107.00
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4472069 Name:
(S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholino
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Mol. Formula:
C40H54N2O8
M.W.:
690.88
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
103.84
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4544909 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-((1R,4
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Mol. Formula:
C36H45NO8
M.W.:
619.76
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
111.60
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4648299 Name:
(2S)-2-[[(2S)-2-[[(2S,4R)-1-[[5-(dimethylamino)-1-
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Mol. Formula:
C33H43N7O7S
M.W.:
681.82
Type:
Unknown
AlogP:
0.98
Polar Surface Area:
218.25
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4648143 Name:
(2S)-2-[[(3S)-2-[(2S)-1-[[5-(dimethylamino)-1-naph
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Mol. Formula:
C34H43N7O6S
M.W.:
677.83
Type:
Unknown
AlogP:
2.24
Polar Surface Area:
189.23
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4645417 Name:
(2S)-2-[[(2S)-2-[[(2S,4S)-1-[[5-(dimethylamino)-1-
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Mol. Formula:
C33H42FN7O6S
M.W.:
683.81
Type:
Unknown
AlogP:
1.96
Polar Surface Area:
198.02
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4644649 Name:
(2S)-2-[[(2S)-2-[[(2S,4R)-1-[[5-(dimethylamino)-1-
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Mol. Formula:
C33H42FN7O6S
M.W.:
683.81
Type:
Unknown
AlogP:
1.96
Polar Surface Area:
198.02
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4644027 Name:
(2S)-2-[[(2S)-2-[[(2R)-1-[[5-(dimethylamino)-1-nap
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Mol. Formula:
C33H43N7O6S
M.W.:
665.82
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
198.02
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4643473 Name:
(2S)-2-[[(2S)-1-[(2S)-1-[[5-(dimethylamino)-1-naph
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Mol. Formula:
C30H43N7O6S
M.W.:
629.78
Type:
Unknown
AlogP:
1.66
Polar Surface Area:
189.23
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4643281 Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[[5-(dimethylamino)-1-nap
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Mol. Formula:
C32H42N8O6S
M.W.:
666.81
Type:
Unknown
AlogP:
1.40
Polar Surface Area:
210.91
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4642811 Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[[5-(dimethylamino)-1-nap
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Mol. Formula:
C33H43N7O6S
M.W.:
665.82
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
198.02
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4642151 Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[[5-(dimethylamino)-1-nap
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Mol. Formula:
C35H44N8O6S
M.W.:
704.85
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
213.81
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4640735 Name:
(2S)-2-[[(2S)-1-[[5-(dimethylamino)-1-naphthyl]sul
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Mol. Formula:
C30H34F3N3O7S
M.W.:
637.68
Type:
Unknown
AlogP:
3.65
Polar Surface Area:
107.02
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4640707 Name:
(2S)-2-[[1-[[(2S)-1-[[5-(dimethylamino)-1-naphthyl
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Mol. Formula:
C30H43N7O6S
M.W.:
629.78
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
198.02
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
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