Compounds

Type:
---

AlogP:
7.09

Polar Surface Area:
194.64

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5205868

Name:
methyl 2,3,6,7-tetrachloro-5-(2-hydroxy-4-(methoxycarbonyl)benzoyl)-13-oxo-Show More⌵

Mol. Formula:
C26H14Cl4N2O8

M.W.:
624.22

Type:
---

AlogP:
6.27

Polar Surface Area:
136.92

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5202297

Name:
8-((6-((4-bromophenyl)thio)-2-cyano-1-oxo-1H-phenalen-3-yl)amino)-N-(2-(2-(Show More⌵

Mol. Formula:
C47H45BrN6O9S

M.W.:
949.88

Type:
---

AlogP:
5.96

Polar Surface Area:
213.10

HBA:
13

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5199709

Name:
3-hydroxy-4-(2,3,6,7-tetrachloro-13-oxo-10-(((trifluoromethyl)sulfonyl)oxy)Show More⌵

Mol. Formula:
C24H8Cl4F6N2O10S2

M.W.:
804.27

Type:
---

AlogP:
7.15

Polar Surface Area:
171.06

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5206723

Name:

Mol. Formula:
C46H59ClN6O6S

M.W.:
859.53

Type:
---

AlogP:
6.26

Polar Surface Area:
123.93

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3393653

Name:
(4,4',5,5'-Tetrachloro-1'-methyl-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis((2-hydrShow More⌵

Mol. Formula:
C23H14Cl4N2O4

M.W.:
524.19

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
84.46

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3393652

Name:
4,4',5,5'-Tetrachloro-1'-methyl-1'H-[1,3'-bipyrrole]-2,2'-diyl)bis((2-methoShow More⌵

Mol. Formula:
C25H18Cl4N2O4

M.W.:
552.24

Type:
Small molecule

AlogP:
6.91

Polar Surface Area:
62.46

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3393651

Name:
(2-fluoro-6-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl4FN2O4

M.W.:
528.15

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3393650

Name:
(4-fluoro-2-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl4FN2O4

M.W.:
528.15

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3393649

Name:
(5-fluoro-2-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl4FN2O4

M.W.:
528.15

7 activity values

Type:
Small molecule

AlogP:
6.43

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3393648

Name:
(4-chloro-2-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl5N2O4

M.W.:
544.61

7 activity values

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3393647

Name:
(5-chloro-2-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl5N2O4

M.W.:
544.61

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3393646

Name:
(3-chloro-2-hydroxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C22H11Cl5N2O4

M.W.:
544.61

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
95.32

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3393645

Name:
(4-chloro-2-methoxyphenyl)(4,4',5,5'-tetrachloro-2'-(2-methoxybenzoyl)-1'H-Show More⌵

Mol. Formula:
C24H15Cl5N2O4

M.W.:
572.66

Type:
Small molecule

AlogP:
7.55

Polar Surface Area:
73.32

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3393644

Name:
2,2'-(4,4'-((4,4',5,5'-Tetrachloro-1'H-1,3'-bipyrrole-2,2'-dicarbonyl)bis(3Show More⌵

Mol. Formula:
C30H18Cl4N8O8

M.W.:
760.33

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
231.34

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3393643

Name:
Di-tert-butyl 2,2'-(4,4'-((4,4',5,5'-tetrachloro-1'H-1,3'-bipyrrole-2,2'-diShow More⌵

Mol. Formula:
C38H34Cl4N8O8

M.W.:
872.55

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
209.34

HBA:
15

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3393642

Name:
Diethyl 2,2'-(4,4'-((4,4',5,5'-tetrachloro-1'H-1,3'-bipyrrole-2,2'-dicarbonShow More⌵

Mol. Formula:
C34H26Cl4N8O8

M.W.:
816.44

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
209.34

HBA:
15

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3393641

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

Mol. Formula:
C41H44Cl4N8O4

M.W.:
854.67

Type:
Small molecule

AlogP:
11.14

Polar Surface Area:
156.74

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3393640

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

Mol. Formula:
C38H34Cl4N8O4

M.W.:
808.55

Type:
Small molecule

AlogP:
9.82

Polar Surface Area:
156.74

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3393639

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

Mol. Formula:
C38H22Cl4N8O4

M.W.:
796.46