Compounds

ALA4218232

Name:
2,2'-(2,2'-(2,2'-azanediylbis(ethane-2,1-diyl)bis(azanediyl))bis(ethane-2,1Show More⌵

Mol. Formula:
C32H34Br3N5O4

M.W.:
792.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
110.85

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4217704

Name:
2,2'-(2,2'-(3,3'-azanediylbis(propane-3,1-diyl)bis(azanediyl))bis(ethane-2,Show More⌵

Mol. Formula:
C34H38Br3N5O4

M.W.:
820.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
110.85

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4217062

Name:
2,2'-(2,2'-(dodecane-1,12-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-beShow More⌵

Mol. Formula:
C40H48Br2N4O4

M.W.:
808.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4216559

Name:
2,2'-(3,3'-(nonane-1,9-diylbis(azanediyl))bis(propane-3,1-diyl))bis(1H-benzShow More⌵

Mol. Formula:
C39H46Br2N4O4

M.W.:
794.63

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4215363

Name:
2,2'-(2,2'-(hexane-1,6-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzoShow More⌵

Mol. Formula:
C34H36Br2N4O4

M.W.:
724.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4214749

Name:
2,2'-(2,2'-(nonane-1,9-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzoShow More⌵

Mol. Formula:
C37H42Br2N4O4

M.W.:
766.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4211460

Name:
2,2'-(2,2'-(octane-1,8-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzoShow More⌵

Mol. Formula:
C36H40Br2N4O4

M.W.:
752.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4211052

Name:
2,2'-(2,2'-(butane-1,4-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzoShow More⌵

Mol. Formula:
C32H32Br2N4O4

M.W.:
696.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4209842

Name:
2,2'-(2,2'-(decane-1,10-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzShow More⌵

Mol. Formula:
C38H44Br2N4O4

M.W.:
780.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4206570

Name:
2,2'-(2,2'-(heptane-1,7-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzShow More⌵

Mol. Formula:
C35H38Br2N4O4

M.W.:
738.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4205986

Name:
2,2'-(3,7,12,16-tetraazaoctadecane-1,18-diyl)bis(1H-benzo[de]isoquinoline-1Show More⌵

Mol. Formula:
C38H48Br4N6O4

M.W.:
972.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
122.88

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4205463

Name:
2-(2-(3-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethylamino)butylaShow More⌵

Mol. Formula:
C35H40Br3N5O4

M.W.:
834.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
110.85

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4204117

Name:
2,2'-(2,2'-(pentane-1,5-diylbis(azanediyl))bis(ethane-2,1-diyl))bis(1H-benzShow More⌵

Mol. Formula:
C33H34Br2N4O4

M.W.:
710.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS