Compounds

ALA5206371

Name:
(3,4,4',5'-tetrachloro-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis((4-(benzylthio)-2Show More⌵

Mol. Formula:
C36H24Cl4N2O4S2

M.W.:
754.54

2 activity values

2 unique targets

Type:
---

AlogP:
10.88

Polar Surface Area:
95.32

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5183172

Name:
(3,4,4',5'-tetrachloro-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis((2-hydroxy-4-((4-Show More⌵

Mol. Formula:
C38H28Cl4N2O6S2

M.W.:
814.60

2 activity values

2 unique targets

Type:
---

AlogP:
10.89

Polar Surface Area:
113.78

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5176347

Name:
diethyl 2,2'-(((3,4,4',5'-tetrachloro-1'H-[1,3'-bipyrrole]-2,2'-dicarbonyl)Show More⌵

Mol. Formula:
C30H24Cl4N2O8S2

M.W.:
746.47

2 activity values

2 unique targets

Type:
---

AlogP:
7.60

Polar Surface Area:
147.92

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5175701

Name:
2-((1-(2-fluorobenzyl)-1H-indol-3-yl)methylene)-5-(4-fluorophenyl)-3-oxo-N-Show More⌵

Mol. Formula:
C35H24F2N4O2S

M.W.:
602.67

3 activity values

3 unique targets

Type:
---

AlogP:
5.77

Polar Surface Area:
68.39

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3393626

Name:
(4,4',5,5'-Tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis((4-ethyl-2-hydroxypShow More⌵

Mol. Formula:
C26H20Cl4N2O4

M.W.:
566.27

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.42

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3393625

Name:
(4,4',5,5'-Tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis((2-hydroxy-4-vinylpShow More⌵

Mol. Formula:
C26H16Cl4N2O4

M.W.:
562.24

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.58

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3393624

Name:
(4,4',5,5'-Tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis((4-ethynyl-2-hydroxShow More⌵

Mol. Formula:
C26H12Cl4N2O4

M.W.:
558.20

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3393623

Name:
(4,4',5,5'-Tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis((5-chloro-2-hydroxyShow More⌵

Mol. Formula:
C24H14Cl6N2O4

M.W.:
607.10

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
8.22

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3393622

Name:
(4,4',5,5'-tetrachloro-1'H-1,3'-bipyrrole-2,2'-diyl)bis((2-hydroxy-4-(triflShow More⌵

Mol. Formula:
C24H10Cl4F6N2O4

M.W.:
646.15

25 activity values

13 unique targets

Type:
Small molecule

AlogP:
8.33

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

（±）-Marinopyrrole A

Name:
Marinopyrrole A

Mol. Formula:
C22H12Cl4N2O4

M.W.:
510.16

18 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS