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ALA4792214 Name:
N-Phenyl-13alpha,12alpha-dihydroxy-5beta-cholan-24
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Mol. Formula:
C30H45NO3
M.W.:
467.69
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4860401 Name:
(R)-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hex
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Mol. Formula:
C26H28N2O
M.W.:
384.52
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4857046 Name:
(R)-(3,4-difluoro-5-methoxyphenyl)((4aR,5S)-1-(4-m
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Mol. Formula:
C26H26F2N2O3
M.W.:
452.50
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
56.51
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4856145 Name:
(R)-(4-fluorophenyl)((4aR,5S)-1-(4-methoxyphenyl)-
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Mol. Formula:
C26H27FN2O2
M.W.:
418.51
Type:
Unknown
AlogP:
5.50
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4877227 Name:
(S)-1-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-h
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Mol. Formula:
C21H26N2O
M.W.:
322.45
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4876447 Name:
(S)-1-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a
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Mol. Formula:
C27H30N2O2
M.W.:
414.55
Type:
Unknown
AlogP:
5.53
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4875267 Name:
(R)-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hex
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Mol. Formula:
C24H26N2OS
M.W.:
390.55
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
38.05
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4846557 Name:
(S)-1-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-h
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Mol. Formula:
C27H30N2O
M.W.:
398.55
Type:
Unknown
AlogP:
5.83
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4845663 Name:
(R)-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a,5
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Mol. Formula:
C26H28N2O2
M.W.:
400.52
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4866467 Name:
(R)-(4-fluorophenyl)((4aR,5S)-4a-methyl-1-p-tolyl-
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Mol. Formula:
C26H27FN2O
M.W.:
402.51
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4864367 Name:
(R)-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a,5
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Mol. Formula:
C24H26N2O2S
M.W.:
406.55
Type:
Unknown
AlogP:
5.42
Polar Surface Area:
47.28
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4863316 Name:
(S)-1-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a
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Mol. Formula:
C21H26N2O2
M.W.:
338.45
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA4855992 Name:
(S)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,
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Mol. Formula:
C26H27FN2O
M.W.:
402.51
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4853394 Name:
2-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hexah
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Mol. Formula:
C22H28N2O
M.W.:
336.48
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4872009 Name:
(S)-1-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-h
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Mol. Formula:
C25H28N2OS
M.W.:
404.58
Type:
Unknown
AlogP:
5.90
Polar Surface Area:
38.05
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4871994 Name:
(S)-1-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a
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Mol. Formula:
C25H28N2O2S
M.W.:
420.58
Type:
Unknown
AlogP:
5.60
Polar Surface Area:
47.28
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4871954 Name:
(R)-1-(3,4-difluoro-5-methoxyphenyl)-1-((4aR,5S)-4
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Mol. Formula:
C27H28F2N2O2
M.W.:
450.53
Type:
Unknown
AlogP:
5.95
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4868414 Name:
(S)-1-(3,4-difluoro-5-methoxyphenyl)-1-((4aR,5S)-4
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Mol. Formula:
C27H28F2N2O2
M.W.:
450.53
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4868293 Name:
(S)-1-(3,4-difluoro-5-methoxyphenyl)-1-((4aR,5S)-1
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Mol. Formula:
C28H30F2N2O3
M.W.:
480.56
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
56.51
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4850604 Name:
2-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a,5,6
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Mol. Formula:
C22H28N2O2
M.W.:
352.48
Type:
Unknown
AlogP:
4.40
Polar Surface Area:
47.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
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