Compounds

ALA3277624

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N7-(2,6-dichlorobenzyl)hShow More⌵

Mol. Formula:
C32H51Cl5N4S2

M.W.:
733.19

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
9.64

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277623

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(2,6-dichlorobenzyl)hShow More⌵

Mol. Formula:
C30H47Cl5N4S2

M.W.:
705.13

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.86

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277622

Name:
4,4'-(12,13-dithia-2,9,16,23-tetraazatetracosane-1,24-diyl)dibenzene-1,2-diShow More⌵

Mol. Formula:
C30H51BrN4O4S2

M.W.:
675.80

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
129.04

HBA:
10

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3277621

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(3,4-dimethoxybenzyl)Show More⌵

Mol. Formula:
C34H59ClN4O4S2

M.W.:
687.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
85.04

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277620

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(3,5-dimethoxybenzyl)Show More⌵

Mol. Formula:
C34H59ClN4O4S2

M.W.:
687.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
85.04

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277619

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(2,5-dimethoxybenzyl)Show More⌵

Mol. Formula:
C34H59ClN4O4S2

M.W.:
687.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
85.04

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277618

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(2,4-dimethoxybenzyl)Show More⌵

Mol. Formula:
C34H59ClN4O4S2

M.W.:
687.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
85.04

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277617

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(2,3-dimethoxybenzyl)Show More⌵

Mol. Formula:
C34H59ClN4O4S2

M.W.:
687.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
85.04

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277616

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N7-(2-chlorobenzyl)heptaShow More⌵

Mol. Formula:
C32H53Cl3N4S2

M.W.:
664.30

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.33

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277615

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-(2-chlorobenzyl)hexanShow More⌵

Mol. Formula:
C30H49Cl3N4S2

M.W.:
636.24

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.55

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3277614

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))dipentane-1,5-diamine

Mol. Formula:
C14H34N4S2

M.W.:
322.59

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3277613

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))dihexane-1,6-diamine tetrahyShow More⌵

Mol. Formula:
C16H39ClN4S2

M.W.:
387.10

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3277612

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))diheptane-1,7-diamine tetrahShow More⌵

Mol. Formula:
C18H43ClN4S2

M.W.:
415.16

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3277611

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))dioctane-1,8-diamine tetrahyShow More⌵

Mol. Formula:
C20H47ClN4S2

M.W.:
443.21

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3277610

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))dinonane-1,9-diamine tetrahyShow More⌵

Mol. Formula:
C22H51ClN4S2

M.W.:
471.27

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3277609

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(decane-1,10-diamine)tetrShow More⌵

Mol. Formula:
C24H55ClN4S2

M.W.:
499.32

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3277608

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))didodecane-1,12-diamine tetrShow More⌵

Mol. Formula:
C28H63ClN4S2

M.W.:
555.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
76.10

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3277607

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N1-methyloctane-1,8-diamShow More⌵

Mol. Formula:
C24H52N4O4S2

M.W.:
524.84

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
58.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3277606

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N6-benzylhexane-1,6-diamShow More⌵

Mol. Formula:
C30H51ClN4S2

M.W.:
567.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3277605

Name:
N1,N1'-(2,2'-disulfanediylbis(ethane-2,1-diyl))bis(N7-benzylheptane-1,7-diaShow More⌵

Mol. Formula:
C32H55ClN4S2

M.W.:
595.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
48.12

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.07

DETAILS