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ALA4540234 Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C26H23ClN2O3
M.W.:
446.93
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
54.56
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4522589 Name:
methyl 3-(6-methoxy-1-p-tolyl-2,3,4,9-tetrahydro-1
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Cas Number:
931941-76-3
Mol. Formula:
C26H25N3O4S
M.W.:
475.57
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
83.66
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4559185 Name:
6-chloro-1-(4-methoxyphenyl)-2-(2-methoxyphenylsul
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Mol. Formula:
C25H23ClN2O4S
M.W.:
482.99
Type:
Unknown
AlogP:
5.17
Polar Surface Area:
71.63
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4553124 Name:
methyl 3-(6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tet
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Mol. Formula:
C27H24ClN3O4
M.W.:
489.96
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
83.66
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4552312 Name:
6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-be
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Cas Number:
528816-57-1
Mol. Formula:
C18H17ClN2O
M.W.:
312.80
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
37.05
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4571580 Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C26H20ClF3N2O2
M.W.:
484.91
Type:
Unknown
AlogP:
6.64
Polar Surface Area:
45.33
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4514873 Name:
6-chloro-N-(2,4-dimethoxyphenyl)-1-(4-methoxypheny
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Cas Number:
1031540-29-0
Mol. Formula:
C27H26ClN3O4
M.W.:
491.98
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
75.82
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4590898 Name:
6-chloro-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3
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Cas Number:
865679-96-5
Mol. Formula:
C26H24ClN3O3
M.W.:
461.95
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
66.59
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4582996 Name:
6-chloro-N,1-bis(4-methoxyphenyl)-3,4-dihydro-1H-p
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Mol. Formula:
C26H24ClN3O3
M.W.:
461.95
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
66.59
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4582890 Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C26H23ClN2O3
M.W.:
446.93
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
54.56
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4582384 Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C30H30ClN3O3
M.W.:
516.04
Type:
Unknown
AlogP:
5.45
Polar Surface Area:
57.80
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4462587 Name:
(6-chloro-1-(4-chlorophenyl)-3,4-dihydro-1H-pyrido
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Mol. Formula:
C29H27Cl2N3O2
M.W.:
520.46
Type:
Unknown
AlogP:
6.09
Polar Surface Area:
48.57
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4462305 Name:
(6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrid
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Mol. Formula:
C25H20Cl2N2O2
M.W.:
451.35
Type:
Unknown
AlogP:
6.27
Polar Surface Area:
45.33
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4461090 Name:
N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3,4-dihydr
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Mol. Formula:
C26H25N3O3
M.W.:
427.50
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
66.59
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4465400 Name:
(6R,7S)-7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahyd
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Mol. Formula:
C14H13NO3S2
M.W.:
307.40
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
59.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4098689 Name:
(R)-2-(6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro
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Mol. Formula:
C22H27NO6
M.W.:
401.46
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
98.00
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4094624 Name:
(R)-2-(6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro
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Mol. Formula:
C26H33NO5
M.W.:
439.55
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
77.77
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4102081 Name:
(R)-2-(6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro
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Mol. Formula:
C25H33NO5
M.W.:
427.54
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
77.77
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4101578 Name:
(R)-2-(6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro
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Mol. Formula:
C28H30O6
M.W.:
462.54
Type:
Small molecule
AlogP:
5.73
Polar Surface Area:
74.97
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4101164 Name:
2-((R)-6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro
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Mol. Formula:
C26H33NO6
M.W.:
455.55
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
87.00
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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