Compounds

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ALA1213976
Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-morpholinoethoxy)phenyl)urea
Mol. Formula:
C20H21ClF3N3O3
M.W.:
443.85
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
62.83
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1213975
Name:
N-methyl-4-(4-(3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)ureido)phenoxy)pShow More⌵
Mol. Formula:
C26H30N6O3
M.W.:
474.57
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
98.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1213974
Name:
4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)phenoxy)-N-methylpicShow More⌵
Mol. Formula:
C28H30N6O3
M.W.:
498.59
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
110.17
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1213973
Name:
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-methyl-3-(4-(pyridin-3-yl)pShow More⌵
Mol. Formula:
C31H32N8O
M.W.:
532.65
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
7.03
Polar Surface Area:
109.65
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA1213925
Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-morpholinoethoxy)naphthalen-Show More⌵
Mol. Formula:
C24H23ClF3N3O3
M.W.:
493.91
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
62.83
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1213924
Name:
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl-3-(4-(pyridin-3-yl)pyrimShow More⌵
Mol. Formula:
C24H18ClF3N6O
M.W.:
498.90
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
6.91
Polar Surface Area:
91.83
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1213923
Name:
4-((4-methylpiperazin-1-yl)methyl)-N-(4-(2-morpholinoethoxy)naphthalen-1-ylShow More⌵
Mol. Formula:
C29H36N4O3
M.W.:
488.63
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
57.28
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1213922
Name:
N-methyl-4-(4-(4-((4-methylpiperazin-1-yl)methyl)benzamido)phenoxy)picolinaShow More⌵
Mol. Formula:
C26H29N5O3
M.W.:
459.55
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
86.80
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE