Compounds

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ALA4174068
Name:
Potassium 3-((3-aminophenyl)amino)quinoxaline-2-carboxylate
Mol. Formula:
C15H11KN4O2
M.W.:
318.38
9 activity values
9 unique targets
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
101.13
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4104556
Name:
1-(2-((1H-Indol-5-yl)oxy)ethyl)-4,4-dimethyl-6-(3-nitrophenyl)-1,2,3,4-tetrShow More⌵
Mol. Formula:
C27H27N3O3
M.W.:
441.53
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.11
Polar Surface Area:
60.54
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4102136
Name:
1-(2-((1H-Indol-5-yl)oxy)ethyl)-4,4-dimethyl-6-(pyridin-4-yl)-1,2,3,4-tetraShow More⌵
Mol. Formula:
C26H27N3O
M.W.:
397.52
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
30.29
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4086660
Name:
Ethyl 2-(5-(2-(4,4-Dimethyl-3,4-dihydroquinolin-1(2H)-yl)ethoxy)-1H-indol-1Show More⌵
Mol. Formula:
C25H30N2O3
M.W.:
406.53
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
43.70
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4085743
Name:
1-(2-((1H-Indol-5-yl)oxy)ethyl)-6-(6-chloropyridin-3-yl)-4,4-dimethyl-1,2,3Show More⌵
Mol. Formula:
C26H26ClN3O
M.W.:
431.97
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.25
Polar Surface Area:
30.29
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4077884
Name:
1-(2-((1H-indol-5-yl)oxy)ethyl)-4,4-dimethyl-6-(pyridin-2-yl)-1,2,3,4-tetraShow More⌵
Mol. Formula:
C26H27N3O
M.W.:
397.52
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.80
Polar Surface Area:
41.15
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4066912
Name:
1-(2-((1-Benzyl-1H-indol-5-yl)oxy)ethyl)-4,4-dimethyl-1,2,3,4-tetrahydroquiShow More⌵
Mol. Formula:
C28H29BrN2O
M.W.:
489.46
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
7.02
Polar Surface Area:
17.40
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE