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ALA1083557 Name:
(S)-2,3-Dihydroxypropyladenine
Mol. Formula:
C8H11N5O2
M.W.:
209.21
Type:
Small molecule
AlogP:
-1.17
Polar Surface Area:
120.94
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4776553 Name:
1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-pr
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Mol. Formula:
C19H19FN4OS
M.W.:
370.45
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4754810 Name:
(E)-1-methyl-N-(4-(2-phenyl-1-(4-(2-(pyrrolidin-1-
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Mol. Formula:
C35H43N3O2
M.W.:
537.75
Type:
Unknown
AlogP:
6.81
Polar Surface Area:
44.81
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4753254 Name:
1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-ph
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Mol. Formula:
C24H21FN4OS
M.W.:
432.52
Type:
Unknown
AlogP:
4.33
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4796099 Name:
N'-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-
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Mol. Formula:
C21H17FN4O2S
M.W.:
408.46
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4794462 Name:
4-Ethyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
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Mol. Formula:
C18H17FN4OS
M.W.:
356.43
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4792170 Name:
4-Butyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
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Mol. Formula:
C20H21FN4OS
M.W.:
384.48
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4785132 Name:
4-Allyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
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Mol. Formula:
C19H17FN4OS
M.W.:
368.44
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4782391 Name:
(E)-1-methyl-N-(4-(2-phenyl-1-(4-(2-(pyrrolidin-1-
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Mol. Formula:
C34H41N3O2
M.W.:
523.72
Type:
Unknown
AlogP:
6.42
Polar Surface Area:
44.81
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4763286 Name:
5-Fluoro-N'-(3-methyl-4-oxo-1,3-thiazolidin-2-ylid
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Mol. Formula:
C19H15FN4O2S
M.W.:
382.42
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4779683 Name:
N'-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-fl
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Mol. Formula:
C25H19FN4O2S
M.W.:
458.52
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4759440 Name:
1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-me
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Mol. Formula:
C17H15FN4OS
M.W.:
342.40
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4089605 Name:
N-[(Adamant-1-yl)methyl]-3-fluoro-5-(trifluorometh
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Mol. Formula:
C18H22ClF4N
M.W.:
363.83
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4787908 Name:
5-Fluoro-N'-(4-oxo-3-propyl-1,3-thiazolidin-2-ylid
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Mol. Formula:
C21H19FN4O2S
M.W.:
410.47
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4787529 Name:
N'-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-flu
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Mol. Formula:
C22H21FN4O2S
M.W.:
424.50
Type:
Unknown
AlogP:
4.35
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4745791 Name:
N'-(3-Ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-flu
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Mol. Formula:
C20H17FN4O2S
M.W.:
396.45
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4743921 Name:
4-Benzyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbo
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Mol. Formula:
C23H19FN4OS
M.W.:
418.50
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
68.95
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4743117 Name:
5-Fluoro-N'-(4-oxo-3-phenethyl-1,3-thiazolidin-2-y
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Mol. Formula:
C26H21FN4O2S
M.W.:
472.55
Type:
Unknown
AlogP:
4.79
Polar Surface Area:
77.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4081284 Name:
6-(2-(4-methylpiperidin-1-yl)ethyl)-2,3,4,6-tetrah
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Mol. Formula:
C22H28N4
M.W.:
348.49
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
33.95
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4067182 Name:
4-(2-(3,4-dihydro-1H-indolo[2,3-b]quinoxalin-6(2H)
Show More⌵
Mol. Formula:
C20H24N4O
M.W.:
336.44
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
43.18
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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