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ALA4742188 Name:
(17beta)-17-ethynyl-17-hydroxy-2-[4-(1-(quinolin-2
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Mol. Formula:
C42H49N5O5
M.W.:
703.88
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
106.52
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4756811 Name:
1-((17beta)-17-ethynyl-17-hydroxy-2-(4-(((2S)-1-(q
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Mol. Formula:
C41H46N4O4
M.W.:
658.84
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
94.05
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4791122 Name:
(4-[(17beta)-17-ethynyl-3,17-dihydroxyestra-1,3,5(
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Mol. Formula:
C39H44N4O4
M.W.:
632.81
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
97.21
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4798881 Name:
(17beta)-17-ethynyl-17-hydroxy-3-methoxyestra-1,3,
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Mol. Formula:
C41H46N4O5
M.W.:
674.84
Type:
Unknown
AlogP:
5.05
Polar Surface Area:
103.28
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4798007 Name:
(17beta)-17-ethynyl-17-hydroxy-2-(4-(1-(quinolin-2
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Mol. Formula:
C39H45N4O7P
M.W.:
712.78
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
143.74
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4748834 Name:
(4-(((8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-3-m
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Mol. Formula:
C41H48N4O4
M.W.:
660.86
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
86.21
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4648733 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-[[4-[(3-acetylphenyl)m
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Mol. Formula:
C32H45F3N2O3
M.W.:
562.72
Type:
Unknown
AlogP:
6.18
Polar Surface Area:
53.01
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4648081 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-[[4-(4-fluoro-3-methox
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Mol. Formula:
C31H45FN2O3
M.W.:
512.71
Type:
Unknown
AlogP:
5.30
Polar Surface Area:
53.01
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4647998 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl
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Mol. Formula:
C35H46N2O3
M.W.:
542.76
Type:
Unknown
AlogP:
5.94
Polar Surface Area:
60.85
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4647843 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-3-[[4-[3-metho
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Mol. Formula:
C33H47F3N2O3
M.W.:
576.74
Type:
Unknown
AlogP:
6.17
Polar Surface Area:
53.01
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4646642 Name:
(3R,5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-3-[[4-[[3
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Mol. Formula:
C35H49F3N2O3
M.W.:
602.78
Type:
Unknown
AlogP:
5.97
Polar Surface Area:
56.17
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4746727 Name:
(4-((17beta)-17-ethynyl-17-hydroxyestra-1,3,5(10)-
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Mol. Formula:
C39H44N4O3
M.W.:
616.81
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
76.98
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4746002 Name:
(17beta)-17-ethynyl-17-hydroxy-2-(4-(1-(quinolin-2
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Mol. Formula:
C44H53N5O5
M.W.:
731.94
Type:
Unknown
AlogP:
6.25
Polar Surface Area:
106.52
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4745909 Name:
(17beta)-17-ethynyl-17-hydroxy-2-(4-(1-(quinolin-2
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Mol. Formula:
C41H46N4O5
M.W.:
674.84
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
103.28
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4646094 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl
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Mol. Formula:
C35H48N2O2
M.W.:
528.78
Type:
Unknown
AlogP:
6.30
Polar Surface Area:
43.78
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4645129 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl
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Mol. Formula:
C34H47N3O2
M.W.:
529.77
Type:
Unknown
AlogP:
5.70
Polar Surface Area:
56.67
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4644930 Name:
4-[[(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dime
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Mol. Formula:
C35H47N3O2S
M.W.:
573.85
Type:
Unknown
AlogP:
6.50
Polar Surface Area:
55.81
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4644154 Name:
(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,
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Mol. Formula:
C19H32O2
M.W.:
292.46
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4643563 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl
Show More⌵
Mol. Formula:
C34H46N2O4S
M.W.:
578.82
Type:
Unknown
AlogP:
5.49
Polar Surface Area:
77.92
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4642468 Name:
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-3-[[4-[(2-meth
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Mol. Formula:
C33H50N2O3
M.W.:
522.77
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
53.01
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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