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ALA5316187 Name:
kipukasin G
Mol. Formula:
C19H22N2O9
M.W.:
422.39
Type:
---
AlogP:
-0.95
Polar Surface Area:
149.45
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5316186 Name:
kipukasin F
Mol. Formula:
C21H24N2O10
M.W.:
464.43
Type:
---
AlogP:
-0.38
Polar Surface Area:
155.52
HBA:
12
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5316185 Name:
kipukasin E
Mol. Formula:
C19H22N2O9
M.W.:
422.39
Type:
---
AlogP:
-0.66
Polar Surface Area:
149.31
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5316184 Name:
kipukasin D
Mol. Formula:
C19H22N2O9
M.W.:
422.39
Type:
---
AlogP:
-0.66
Polar Surface Area:
149.31
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5316183 Name:
kipukasin C
Mol. Formula:
C20H22N2O10
M.W.:
450.40
Type:
---
AlogP:
-0.39
Polar Surface Area:
166.38
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5316182 Name:
kipukasin B
Mol. Formula:
C20H22N2O10
M.W.:
450.40
Type:
---
AlogP:
-0.39
Polar Surface Area:
166.38
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5316181 Name:
kipukasin A
Mol. Formula:
C21H24N2O10
M.W.:
464.43
Type:
---
AlogP:
-0.09
Polar Surface Area:
155.38
HBA:
11
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2296872 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(4-iodophenyl)-py
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Mol. Formula:
C19H14IN5
M.W.:
439.26
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2296871 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,5-dichlorophen
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Mol. Formula:
C19H13Cl2N5
M.W.:
382.25
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2296870 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,3,4-trichlorop
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Mol. Formula:
C19H12Cl3N5
M.W.:
416.70
Type:
Small molecule
AlogP:
5.54
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA2296869 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(4-fluorophenyl)-
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Mol. Formula:
C19H14FN5
M.W.:
331.35
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2296868 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(2,4-dichlorophen
Show More⌵
Mol. Formula:
C19H13Cl2N5
M.W.:
382.25
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
69.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2296867 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(3,4-dimethoxyphe
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Mol. Formula:
C20H17N5O3
M.W.:
375.39
Type:
Small molecule
AlogP:
3.44
Polar Surface Area:
108.31
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA2296866 Name:
4-(4-(1H-imidazol-1-yl)phenyl)-6-(3-methoxyphenyl)
Show More⌵
Mol. Formula:
C20H17N5O
M.W.:
343.39
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
78.85
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2282626 Name:
1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(5
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Mol. Formula:
C19H17F3N4O
M.W.:
374.37
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
66.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA2282625 Name:
1-(3-Chloro-2-fluorophenyl)-3-(2-((6,8-difluoroqui
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Mol. Formula:
C18H14ClF3N4O
M.W.:
394.78
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
66.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2282624 Name:
1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
Show More⌵
Mol. Formula:
C18H15F3N4O
M.W.:
360.34
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
66.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2282622 Name:
1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
Show More⌵
Mol. Formula:
C19H15F5N4O
M.W.:
410.35
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
66.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA2282621 Name:
1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(4
Show More⌵
Mol. Formula:
C19H15F5N4O2
M.W.:
426.35
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
75.28
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2282620 Name:
1-(2-((6,8-Difluoroquinolin-4-yl)amino)ethyl)-3-(2
Show More⌵
Mol. Formula:
C19H15F5N4O2
M.W.:
426.35
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
75.28
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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