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ALA4878894 Name:
N-((3s,5s,7s)-Adamantan-1-yl)-7-(3,5-dimethylisoxa
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Mol. Formula:
C30H34N4O
M.W.:
466.63
Type:
Unknown
AlogP:
6.77
Polar Surface Area:
55.36
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4878741 Name:
7-(3,5-dimethylisoxazol-4-yl)-2-(4-methoxyphenethy
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Mol. Formula:
C27H33N5O3
M.W.:
475.59
Type:
Unknown
AlogP:
4.14
Polar Surface Area:
77.06
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4877061 Name:
N-cyclohexyl-7-(3-methyl-2H-indazol-6-yl)-2-phenet
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Mol. Formula:
C29H31N5
M.W.:
449.60
Type:
Unknown
AlogP:
6.72
Polar Surface Area:
58.01
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4876603 Name:
N-Cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-me
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Mol. Formula:
C25H28N4O2
M.W.:
416.53
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4876541 Name:
N-cyclohexyl-2-(3,4-dimethoxyphenethyl)-7-(3,5-dim
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Mol. Formula:
C28H34N4O3
M.W.:
474.61
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
73.82
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4875619 Name:
N-cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-pr
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Mol. Formula:
C29H36N4O2
M.W.:
472.63
Type:
Unknown
AlogP:
6.92
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4875068 Name:
7-(3,5-Dimethylisoxazol-4-yl)-N-isopropyl-2-(4-met
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Mol. Formula:
C24H28N4O2
M.W.:
404.51
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4870369 Name:
2-(3-(3-Chloro-4-methoxyphenyl)propyl)-N-cyclohexy
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Mol. Formula:
C28H33ClN4O2
M.W.:
493.05
Type:
Unknown
AlogP:
7.19
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4867415 Name:
N-Cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(3-(4
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Mol. Formula:
C28H34N4O2
M.W.:
458.61
Type:
Unknown
AlogP:
6.53
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4867382 Name:
7-(3,5-Dimethylisoxazol-4-yl)-2-(4-isopropoxyphene
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Mol. Formula:
C31H42N4O2
M.W.:
502.70
Type:
Unknown
AlogP:
7.81
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4867360 Name:
7-(3,5-Dimethylisoxazol-4-yl)-2-(4-methoxyphenethy
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Mol. Formula:
C29H38N4O2
M.W.:
474.65
Type:
Unknown
AlogP:
7.03
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4867046 Name:
N-Cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-me
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Mol. Formula:
C27H32N4O2
M.W.:
444.58
Type:
Unknown
AlogP:
6.14
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4866716 Name:
2-(3-Chloro-4-ethoxyphenethyl)-N-cyclohexyl-7-(3,5
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Mol. Formula:
C28H33ClN4O2
M.W.:
493.05
Type:
Unknown
AlogP:
7.19
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4865121 Name:
N-tert-butyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-me
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Mol. Formula:
C25H30N4O2
M.W.:
418.54
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4864902 Name:
N-cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-me
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Mol. Formula:
C26H30N4O2
M.W.:
430.55
Type:
Unknown
AlogP:
5.95
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4864701 Name:
N-((3s,5s,7s)-Adamantan-1-yl)-7-(3,5-dimethylisoxa
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Mol. Formula:
C31H36N4O2
M.W.:
496.66
Type:
Unknown
AlogP:
6.78
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4864355 Name:
7-(3,5-Dimethylisoxazol-4-yl)-2-phenethyl-N-(2,4,4
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Mol. Formula:
C28H36N4O
M.W.:
444.62
Type:
Unknown
AlogP:
7.02
Polar Surface Area:
55.36
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4863302 Name:
N-(4-chlorobenzyl)-7-(3,5-dimethylisoxazol-4-yl)-2
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Mol. Formula:
C28H27ClN4O2
M.W.:
487.00
Type:
Unknown
AlogP:
6.67
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4859434 Name:
N-Cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)-2-(4-et
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Mol. Formula:
C28H34N4O2
M.W.:
458.61
Type:
Unknown
AlogP:
6.53
Polar Surface Area:
64.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4791402 Name:
N-methyl-7-(4-(1-(methylsulfonyl)-1H-pyrazol-4-yl)
Show More⌵
Mol. Formula:
C22H23N5O4S
M.W.:
453.52
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
113.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
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