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ALA3350289 Name:
(5R,11S)-5,11-Dimethyl-5,6,11,12-tetrahydro-chryse
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Mol. Formula:
C20H20O2
M.W.:
292.38
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2114182 Name:
(5S,11R)-5,11-Dimethyl-5,6,11,12-tetrahydro-chryse
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Mol. Formula:
C20H20O2
M.W.:
292.38
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2096692 Name:
alpha [Cp*Ru[eta5-17beta-estradienonyl] [BF4]
Mol. Formula:
C27H38BF4O2Ru
M.W.:
582.47
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2092908 Name:
(11S,13S,17S)-11-((E)-2-Iodo-vinyl)-13-methyl-7,8,
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Mol. Formula:
C20H25IO2
M.W.:
424.32
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2068060 Name:
13-Bromo-5-methoxy-15-methyl-(13S)-tetracyclo[8.7.
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Mol. Formula:
C19H23BrO2
M.W.:
363.30
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2068059 Name:
13-bromo-15-methyl-(13S,14R)-tetracyclo[8.7.0.02,7
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Mol. Formula:
C18H23BrO2
M.W.:
351.28
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1628192 Name:
2-Bromo-N-{5-[4-(3,17-dihydroxy-13-methyl-7,8,9,11
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Mol. Formula:
C31H40BrNO4
M.W.:
570.57
Type:
Small molecule
AlogP:
6.06
Polar Surface Area:
78.79
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1628184 Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][CF3SO3]
Mol. Formula:
C30H40F6O8RhS2
M.W.:
809.67
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628177 Name:
(11S,13S,16R,17S)-11-Ethyl-13-methyl-17-prop-1-yny
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Mol. Formula:
C23H30O3
M.W.:
354.49
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1628172 Name:
(11S,13S,17S)-11-(4-Fluoro-butyl)-13-methyl-7,8,9,
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Mol. Formula:
C22H31FO2
M.W.:
346.49
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1628159 Name:
(11R,13S,17R)-17-((Z)-2-Chloro-vinyl)-13-methyl-11
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Mol. Formula:
C22H27ClO2
M.W.:
358.91
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1628139 Name:
(11S,13S,17S)-11-(3-Fluoro-propyl)-13-methyl-7,8,9
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Mol. Formula:
C21H29FO2
M.W.:
332.46
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA1628136 Name:
11-[4-(5-Iodo-pentyloxy)-phenyl]-13-methyl-7,8,9,1
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Mol. Formula:
C29H37IO3
M.W.:
560.52
Type:
Small molecule
AlogP:
6.99
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA1628108 Name:
(17-alpha(phenylethynyl)-17beta-estradiol)tricarbo
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Mol. Formula:
C29H30CrO5
M.W.:
510.55
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628107 Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][PF6-]
Mol. Formula:
C28H40F6O2PRu-
M.W.:
654.66
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628103 Name:
Estradiol Rh complex
Mol. Formula:
C30H44B2F8O3Rh
M.W.:
729.19
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628102 Name:
Estradiol Cr complex
Mol. Formula:
C24H32CrO6
M.W.:
468.51
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628101 Name:
(17-alpha-phenyl-17beta-estradiol)tricarbonylchrom
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Mol. Formula:
C28H32CrO5
M.W.:
500.56
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628100 Name:
(alpha,beta)-[Cp*Ru(17beta-estradiol)][CF3SO3]
Mol. Formula:
C29H40F3O5RuS
M.W.:
658.77
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1628080 Name:
2-Bromo-N-((S)-3,17-dihydroxy-13-methyl-7,8,9,11,1
Show More⌵
Mol. Formula:
C21H28BrNO3
M.W.:
422.36
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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