Compounds

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ALA2287967
Name:
N',N-(3,3'-(1,3-phenylenebis(methylene))bis(1-((6-chloropyridin-3-yl)methylShow More⌵
Mol. Formula:
C26H26Cl2N10O4
M.W.:
613.47
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
149.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2287966
Name:
1,3,5-tris-(imidaclopridyl)benzene
Mol. Formula:
C36H36Cl3N15O6
M.W.:
881.14
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
224.61
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA2287965
Name:
1,1'-(hexane-1,6-diyl)bis(3-((2-chlorothiazol-5-yl)methyl)-2'-nitroguanidinShow More⌵
Mol. Formula:
C16H22Cl2N10O4S2
M.W.:
553.46
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
184.90
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA2287964
Name:
1,1'-(hexane-1,6-diyl)bis(3-((6-chloropyridin-3-yl)methyl)-2'-nitroguanidinShow More⌵
Mol. Formula:
C20H26Cl2N10O4
M.W.:
541.40
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
184.90
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA2287963
Name:
1,6-Bis[1-(2-chloro-5-thiazolylmethyl)-2-nitroiminoimidazolidin-3-yl]hexane
Mol. Formula:
C20H26Cl2N10O4S2
M.W.:
605.53
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
149.74
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE