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ALA5289874 Name:
Cis-(4S)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-
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Mol. Formula:
C37H43N7O6
M.W.:
681.79
Type:
---
AlogP:
1.06
Polar Surface Area:
201.74
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5284532 Name:
Cis-(4R)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-
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Mol. Formula:
C35H39N7O5S
M.W.:
669.81
Type:
---
AlogP:
1.00
Polar Surface Area:
192.51
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5274193 Name:
Cis-(4R)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-
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Mol. Formula:
C37H43N7O5S
M.W.:
697.86
Type:
---
AlogP:
1.77
Polar Surface Area:
192.51
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5267165 Name:
Trans-(2S)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-
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Mol. Formula:
C36H41N7O5
M.W.:
651.77
Type:
---
AlogP:
1.09
Polar Surface Area:
192.51
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA2288393 Name:
N,N'-(3,3'-(octane-1,8-diyl)bis(1-((6-chloropyridi
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Mol. Formula:
C26H34Cl2N10O4
M.W.:
621.53
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
149.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA2285701 Name:
N,N'-(3,3'-(butane-1,4-diyl)bis(1-((6-chloropyridi
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Mol. Formula:
C22H26Cl2N10O4
M.W.:
565.42
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
149.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA2288392 Name:
N,N'-(3,3'-(ethane-1,2-diyl)bis(1-((6-chloropyridi
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Mol. Formula:
C20H22Cl2N10O4
M.W.:
537.37
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
149.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2288385 Name:
N,N'-(3,3'-(decane-1,10-diyl)bis(1-((6-chloropyrid
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Mol. Formula:
C28H38Cl2N10O4
M.W.:
649.58
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
149.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA2287962 Name:
N-(1-((6-chloro-5-nitropyridin-3-yl)methyl)imidazo
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Mol. Formula:
C9H9ClN6O4
M.W.:
300.66
Type:
Small molecule
AlogP:
0.60
Polar Surface Area:
126.80
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2287961 Name:
N-(1-((6-chloro-5-cyanopyridin-3-yl)methyl)imidazo
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Mol. Formula:
C10H9ClN6O2
M.W.:
280.68
Type:
Small molecule
AlogP:
0.56
Polar Surface Area:
107.45
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2287960 Name:
methyl 2-chloro-5-((2-(nitroimino)imidazolidin-1-y
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Mol. Formula:
C11H12ClN5O4
M.W.:
313.70
Type:
Small molecule
AlogP:
0.47
Polar Surface Area:
109.96
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2287959 Name:
N-(1-((6-chloro-5-(trifluoromethyl)pyridin-3-yl)me
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Mol. Formula:
C10H9ClF3N5O2
M.W.:
323.66
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2287958 Name:
N-(1-((6-chloro-5-phenylpyridin-3-yl)methyl)imidaz
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Mol. Formula:
C15H14ClN5O2
M.W.:
331.76
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2287957 Name:
N-(1-((5-butyl-6-chloropyridin-3-yl)methyl)imidazo
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Mol. Formula:
C13H18ClN5O2
M.W.:
311.77
Type:
Small molecule
AlogP:
2.03
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2287956 Name:
N-(1-((6-chloro-5-propylpyridin-3-yl)methyl)imidaz
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Mol. Formula:
C12H16ClN5O2
M.W.:
297.75
Type:
Small molecule
AlogP:
1.64
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2287955 Name:
N-(1-((6-chloro-5-ethylpyridin-3-yl)methyl)imidazo
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Mol. Formula:
C11H14ClN5O2
M.W.:
283.72
Type:
Small molecule
AlogP:
1.25
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2287954 Name:
N-(1-((6-chloro-5-methylpyridin-3-yl)methyl)imidaz
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Mol. Formula:
C10H12ClN5O2
M.W.:
269.69
Type:
Small molecule
AlogP:
1.00
Polar Surface Area:
83.66
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2287713 Name:
N-(1-((6-chloro-5-(pentyloxy)pyridin-3-yl)methyl)i
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Mol. Formula:
C14H20ClN5O3
M.W.:
341.80
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
92.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2287712 Name:
N-(1-((5-butoxy-6-chloropyridin-3-yl)methyl)imidaz
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Mol. Formula:
C13H18ClN5O3
M.W.:
327.77
Type:
Small molecule
AlogP:
1.87
Polar Surface Area:
92.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2287711 Name:
N-(1-((6-chloro-5-isopropoxypyridin-3-yl)methyl)im
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Mol. Formula:
C12H16ClN5O3
M.W.:
313.75
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
92.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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