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ALA4475327 Name:
6-chloro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
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Mol. Formula:
C23H17ClN6O2S
M.W.:
476.95
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
99.58
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4572391 Name:
N'-isonicotinoyl-8-methoxy-2-methyl-4-(pyridin-2-y
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Mol. Formula:
C24H20N6O3S
M.W.:
472.53
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
108.81
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4578301 Name:
8-hydroxy-N'-isonicotinoyl-2-methyl-4-(pyridin-2-y
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Mol. Formula:
C23H18N6O3S
M.W.:
458.50
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
119.81
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4463862 Name:
8-bromo-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)
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Mol. Formula:
C23H17BrN6O2S
M.W.:
521.40
Type:
Unknown
AlogP:
4.00
Polar Surface Area:
99.58
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4461663 Name:
8-chloro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
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Mol. Formula:
C23H17ClN6O2S
M.W.:
476.95
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
99.58
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4466209 Name:
N'-isonicotinoyl-6-methoxy-2-methyl-4-(pyridin-2-y
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Mol. Formula:
C24H20N6O3S
M.W.:
472.53
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
108.81
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4473310 Name:
N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-8-(trif
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Mol. Formula:
C24H17F3N6O3S
M.W.:
526.50
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
108.81
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4068694 Name:
(1R,3S,4R,5R,6S)-4-((2R,3R,4R,5R,6R)-3-amino-6-(am
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Mol. Formula:
C51H61N7O6
M.W.:
868.09
Type:
Small molecule
AlogP:
7.91
Polar Surface Area:
208.22
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA3822476 Name:
1-[[(2S)-2-[[2-[[1-[[2-[[1-[[(2S)-2-[[1-[[2-[[1-[[
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Mol. Formula:
C115H187N27O21
M.W.:
2283.93
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3822471 Name:
1-(2-(1-((S)-2-(2-acetamidoacetamido)-3-phenylprop
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Mol. Formula:
C111H179N27O21
M.W.:
2227.82
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3823170 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C108H173N39O21
M.W.:
2353.82
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3823964 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C108H173N27O21
M.W.:
2185.74
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3823648 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C97H151N27O21
M.W.:
2031.44
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3823565 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C103H163N27O21
M.W.:
2115.61
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3824066 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C109H175N27O21
M.W.:
2199.77
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3822634 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C115H187N39O21
M.W.:
2452.01
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3824252 Name:
1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
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Mol. Formula:
C127H211N31O23
M.W.:
2540.28
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4519554 Name:
N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benz
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Mol. Formula:
C23H18N6O2S
M.W.:
442.50
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
99.58
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4564558 Name:
8-fluoro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
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Mol. Formula:
C23H17FN6O2S
M.W.:
460.49
Type:
Unknown
AlogP:
3.37
Polar Surface Area:
99.58
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4649255 Name:
(2E/Z,6Z)-3,7,11-trimethyl-N-(3-(pyrrolidin-1-yl)p
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Mol. Formula:
C22H40N2
M.W.:
332.58
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
15.27
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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