Compounds

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ALA4756471
Name:
N-(2-((4-(6-(3-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-yl)aminoShow More⌵
Mol. Formula:
C25H21FN6OS
M.W.:
472.55
3 activity values
3 unique targets
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
84.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4753676
Name:
N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-yl)aminoShow More⌵
Mol. Formula:
C24H21FN6O2S2
M.W.:
508.60
62 activity values
61 unique targets
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4461290
Name:
(1R,3aS,5aR,5bR,7aR,9E,11aR,11bR,13aR,13bR)-9-[(4-fluorophenyl)hydrazono]-1Show More⌵
Mol. Formula:
C36H51FN2O2
M.W.:
562.81
4 activity values
4 unique targets
Type:
Unknown
AlogP:
9.34
Polar Surface Area:
61.69
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA149466
Name:
(E)-3-(3-Hydroperoxy-4-hydroxy-phenyl)-acrylic acid
Mol. Formula:
C9H8O5
M.W.:
196.16
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.34
Polar Surface Area:
86.99
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA151429
Name:
(3,4,5-Trihydroxy-phenyl)-acetic acid
Mol. Formula:
C8H8O5
M.W.:
184.15
8 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.43
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE