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ALA5280146 Name:
N,N-diethyl-3-(5-fluoro-3-methylbenzo[b]thiophen-2
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Mol. Formula:
C21H23FN4S
M.W.:
382.51
Type:
---
AlogP:
5.52
Polar Surface Area:
33.43
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1087299 Name:
8-mesityl-3-((4-methyl-1,4-diazepan-1-yl)methyl)-2
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Mol. Formula:
C23H32F3N5
M.W.:
435.54
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
27.54
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1087174 Name:
4-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahyd
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Mol. Formula:
C21H27F3N4S
M.W.:
424.54
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
24.30
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1087173 Name:
4-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahyd
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Mol. Formula:
C21H27F3N4O
M.W.:
408.47
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
33.53
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1087172 Name:
3-((5,6-dihydropyridin-1(2H)-yl)methyl)-8-mesityl-
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Mol. Formula:
C22H27F3N4
M.W.:
404.48
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1087805 Name:
8-mesityl-3-(piperidin-1-ylmethyl)-2-(trifluoromet
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Mol. Formula:
C22H29F3N4
M.W.:
406.50
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1087804 Name:
3,3,3-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-
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Mol. Formula:
C23H30F6N4
M.W.:
476.51
Type:
Small molecule
AlogP:
6.53
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1077156 Name:
N-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahyd
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Mol. Formula:
C23H31F3N4
M.W.:
420.52
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1087803 Name:
2,2,2-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-
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Mol. Formula:
C27H30F6N4
M.W.:
524.55
Type:
Small molecule
AlogP:
6.98
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1088626 Name:
N-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahyd
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Mol. Formula:
C28H35F3N4
M.W.:
484.61
Type:
Small molecule
AlogP:
6.82
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1088625 Name:
N-(cyclopropylmethyl)-N-((8-mesityl-2-(trifluorome
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Mol. Formula:
C23H31F3N4
M.W.:
420.52
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1088624 Name:
N-(cyclobutylmethyl)-2,2,2-trifluoro-N-((8-mesityl
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Mol. Formula:
C24H30F6N4
M.W.:
488.52
Type:
Small molecule
AlogP:
6.53
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1088478 Name:
N-(cyclobutylmethyl)-N-((8-mesityl-2-(trifluoromet
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Mol. Formula:
C25H35F3N4
M.W.:
448.58
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1087167 Name:
N,N-diallyl-8-mesityl-2-(trifluoromethyl)-5,6,7,8-
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Mol. Formula:
C23H27F3N4O
M.W.:
432.49
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
41.37
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1087166 Name:
N-(cyclopropylmethyl)-2,2,3,3,3-pentafluoro-N-((8-
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Mol. Formula:
C24H28F8N4
M.W.:
524.50
Type:
Small molecule
AlogP:
6.78
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1087165 Name:
N-(cyclopropylmethyl)-2,2,2-trifluoro-N-((8-mesity
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Mol. Formula:
C23H28F6N4
M.W.:
474.49
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1087164 Name:
N-(cyclopropylmethyl)-N-((8-mesityl-2-(trifluorome
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Mol. Formula:
C24H33F3N4
M.W.:
434.55
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
24.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1077155 Name:
N-butyl-N,2-diethyl-8-mesityl-7-oxo-5,6,7,8-tetrah
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Mol. Formula:
C24H34N4O2
M.W.:
410.56
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
58.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1087675 Name:
N,N-diallyl-2-ethyl-8-mesityl-7-oxo-5,6,7,8-tetrah
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Mol. Formula:
C24H30N4O2
M.W.:
406.53
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
58.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1087674 Name:
2-ethyl-8-mesityl-7-oxo-N,N-dipropyl-5,6,7,8-tetra
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Mol. Formula:
C24H34N4O2
M.W.:
410.56
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
58.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
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