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ALA5171045 Name:
N-(3-(2-((4-(4-(12-(2-((3r,5r,7r)-Adamantan-1-yl)-N-(prop-2-yn-1-yl)acetamiShow More⌵
Mol. Formula:
C56H74N8O4
M.W.:
923.26
Type:
---
AlogP:
10.28
Polar Surface Area:
124.93
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA2177837 Name:
N-(4-(2-(2-Aminopyridin-3-yl)-5-(pyridin-3-yl)-3H-imidazo-[4,5-b]pyridin-3-Show More⌵
Mol. Formula:
C30H22FN7O
M.W.:
515.55
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
111.61
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2177836 Name:
N-(4-(5-(3-Acetamidophenyl)-2-(2-aminopyridin-3-yl)-3Himidazo[4,5-b]pyridinShow More⌵
Mol. Formula:
C33H26FN7O2
M.W.:
571.62
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
127.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2177835 Name:
N-(4-(2-(2-Aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]-pyridin-3-yl)benzyShow More⌵
Mol. Formula:
C31H24N6O
M.W.:
496.57
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA2177834 Name:
N-(4-(5-(3-Acetamidophenyl)-2-(2-aminopyridin-3-yl)-3Himidazo[4,5-b]pyridinShow More⌵
Mol. Formula:
C33H27N7O2
M.W.:
553.63
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
127.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA2177832 Name:
N-(4-(2-(2-Aminopyridin-3-yl)-5-(pyridin-3-yl)-3H-imidazo-[4,5-b]pyridin-3-Show More⌵
Mol. Formula:
C30H23N7O
M.W.:
497.56
Type:
Small molecule
AlogP:
5.06
Polar Surface Area:
111.61
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2177830 Name:
N-(4-(2-(2-Aminopyridin-3-yl)-6-phenyl-3H-imidazo[4,5-b]-pyridin-3-yl)benzyShow More⌵
Mol. Formula:
C31H24N6O
M.W.:
496.57
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA2177829 Name:
2-(4-(2-(2-Aminopyridin-3-yl)-5-(pyridin-3-yl)-3H-imidazo-[4,5-b]pyridin-3-Show More⌵
Mol. Formula:
C30H23N7O
M.W.:
497.56
Type:
Small molecule
AlogP:
5.31
Polar Surface Area:
111.61
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2177828 Name:
2-(4-(5-(3-Acetamidophenyl)-2-(2-aminopyridin-3-yl)-3Himidazo[4,5-b]pyridinShow More⌵
Mol. Formula:
C33H26FN7O2
M.W.:
571.62
Type:
Small molecule
AlogP:
6.01
Polar Surface Area:
127.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2177827 Name:
3-(3-(4-(Aminomethyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]-pyridin-2-yl)pyridiShow More⌵
Mol. Formula:
C33H27N7O2
M.W.:
553.63
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
127.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2177826 Name:
N-(4-(2-(2-aminopyridin-3-yl)-6-cyclopentyl-3H-imidazo[4,5-b]pyridin-3-yl)bShow More⌵
Mol. Formula:
C30H28N6O
M.W.:
488.60
Type:
Small molecule
AlogP:
5.65
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2177819 Name:
N-(4-(2-(2-Aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)benzamidShow More⌵
Mol. Formula:
C25H20N6O
M.W.:
420.48
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA2177818 Name:
2-(4-(2-(2-Aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)-N-phenyShow More⌵
Mol. Formula:
C25H20N6O
M.W.:
420.48
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2023845 Name:
3-((11R,14R,17R,20R,23R,26R,34R)-38-amino-26-carbamoyl-11,14,17,20,23-pentaShow More⌵
Mol. Formula:
C84H130N32O14S
M.W.:
1844.24
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2023842 Name:
N-((6R,9R,19R)-1,23-diamino-6-carbamoyl-9-(3-guanidinopropyl)-1-imino-8,11,Show More⌵
Mol. Formula:
C46H79N15O7S
M.W.:
986.30
Type:
Small molecule
AlogP:
0.54
Polar Surface Area:
362.82
HBA:
12
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
34
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA2023841 Name:
ARC-1083
Mol. Formula:
C105H168N37O16S2+
M.W.:
2268.88
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2002553 Name:
SID103905289
Mol. Formula:
C8H6N2O3S
M.W.:
210.21
Type:
Small molecule
AlogP:
0.99
Polar Surface Area:
83.05
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1997759 Name:
SID103904675
Mol. Formula:
C20H16N4O2
M.W.:
344.37
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
68.52
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1996604 Name:
SID103905211
Mol. Formula:
C18H16N2O3S
M.W.:
340.40
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
59.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1995448 Name:
SID103904733
Mol. Formula:
C12H15N5O
M.W.:
245.29
Type:
Small molecule
AlogP:
1.14
Polar Surface Area:
99.08
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
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