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ALA5276538 Name:
N-(4-(4-Amino-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-2-fluShow More⌵
Mol. Formula:
C23H20F4N6O
M.W.:
472.45
Type:
---
AlogP:
5.24
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5288067 Name:
2-(4-(5-(thiophen-3-yl)-1H-benzo[d]imidazol-1-yl)phenyl)-N-(3-(trifluorometShow More⌵
Mol. Formula:
C26H18F3N3OS
M.W.:
477.51
Type:
---
AlogP:
6.95
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5208770 Name:
(E)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C37H34F3N5O
M.W.:
621.71
Type:
---
AlogP:
8.17
Polar Surface Area:
60.50
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5206634 Name:
(Z)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C35H36F3N5O
M.W.:
599.70
Type:
---
AlogP:
7.02
Polar Surface Area:
51.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5206567 Name:
(E)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C34H35F3N4O
M.W.:
572.68
Type:
---
AlogP:
7.38
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5206370 Name:
(Z)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C32H31F3N4O
M.W.:
544.62
Type:
---
AlogP:
6.73
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5203860 Name:
(Z)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C31H29F3N4O
M.W.:
530.59
Type:
---
AlogP:
6.42
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5201128 Name:
N1-[4-[(6-carbamoyl-7-methoxy-4-quinolyl)oxy]-2-chloro-phenyl]-N1'-cycloproShow More⌵
Mol. Formula:
C25H23ClN4O5
M.W.:
494.94
Type:
---
AlogP:
3.79
Polar Surface Area:
132.64
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5201102 Name:
methyl2-hydroxy-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]aniliShow More⌵
Mol. Formula:
C31H35N5O4
M.W.:
541.65
Type:
---
AlogP:
4.07
Polar Surface Area:
101.14
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5200720 Name:
(Z)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(quiShow More⌵
Mol. Formula:
C29H27F3N6O
M.W.:
532.57
Type:
---
AlogP:
6.67
Polar Surface Area:
73.19
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5200675 Name:
(E)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C31H29F3N4O
M.W.:
530.59
Type:
---
AlogP:
6.42
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5200195 Name:
(E)-3-(2-(4-(Dimethylamino)quinolin-3-yl)vinyl)-N-(4-((4-methylpiperazin-1-Show More⌵
Mol. Formula:
C33H34F3N5O
M.W.:
573.66
Type:
---
AlogP:
6.49
Polar Surface Area:
51.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5198379 Name:
(Z)-3-(2-(4-Methoxyquinolin-3-yl)vinyl)-N-(4-((4-methylpiperazin-1-yl)methyShow More⌵
Mol. Formula:
C32H31F3N4O2
M.W.:
560.62
Type:
---
AlogP:
6.43
Polar Surface Area:
57.70
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5197023 Name:
(Z)-3-(2-(4-(Dimethylamino)quinolin-3-yl)vinyl)-N-(4-((4-methylpiperazin-1-Show More⌵
Mol. Formula:
C33H34F3N5O
M.W.:
573.66
Type:
---
AlogP:
6.49
Polar Surface Area:
51.71
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5193272 Name:
(Z)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C33H33F3N4O
M.W.:
558.65
Type:
---
AlogP:
6.99
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5193068 Name:
(Z)-3-((4-methoxyquinolin-3-yl)diazenyl)-N-(4-((4-methylpiperazin-1-yl)methShow More⌵
Mol. Formula:
C30H29F3N6O2
M.W.:
562.60
Type:
---
AlogP:
6.68
Polar Surface Area:
82.42
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5192538 Name:
(Z)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C37H34F3N5O
M.W.:
621.71
Type:
---
AlogP:
8.17
Polar Surface Area:
60.50
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5191715 Name:
(E)-3-((4-Methoxyquinolin-3-yl)diazenyl)-N-(4-((4-methylpiperazin-1-yl)methShow More⌵
Mol. Formula:
C30H29F3N6O2
M.W.:
562.60
Type:
---
AlogP:
6.68
Polar Surface Area:
82.42
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5189744 Name:
(E)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(quiShow More⌵
Mol. Formula:
C29H27F3N6O
M.W.:
532.57
Type:
---
AlogP:
6.67
Polar Surface Area:
73.19
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5188742 Name:
(Z)-N-(4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(Show More⌵
Mol. Formula:
C34H35F3N4O
M.W.:
572.68
Type:
---
AlogP:
7.55
Polar Surface Area:
48.47
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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