Compounds

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
132.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4086844

Name:
N,N'-bis(1,2,4-triazol-3-yl)benzophenonete-3,3',4,4'-tracarboxylic diimide

Mol. Formula:
C21H10N8O5

M.W.:
454.36

12 activity values

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
174.97

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4083409

Name:
N,N'-bis(2-hydroxyethyl)benzophenone-3,3',4,4'-tetracarboxylic diimide

Mol. Formula:
C21H16N2O7

M.W.:
408.37

12 activity values

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
132.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4078997

Name:
N,N'-bis(3-hydroxyphenyl)benzophenone-3,3',4,4'-tetracarboxylic diimide

Mol. Formula:
C29H16N2O7

M.W.:
504.45

31 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
132.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4065413

Name:
N,N'-bis(4-hydroxyphenyl)benzophenone-3,3',4,4'-tetracarboxylic diimide

Mol. Formula:
C29H16N2O7

M.W.:
504.45

28 activity values

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
132.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4061589

Name:
N,N'-bis(uracil-5-yl)benzophenone-3,3',4,4'-tetracarboxylic diimide

Mol. Formula:
C25H12N6O9

M.W.:
540.40

12 activity values

Type:
Small molecule

AlogP:
-0.73

Polar Surface Area:
223.27

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3823652

Name:
2-(4-Bromo-N-(2-methoxyphenyl)phenylsulfonamido)-N-(4-methoxypyridin-3-yl)aShow More⌵

Mol. Formula:
C21H20BrN3O5S

M.W.:
506.38

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3823632

Name:
2-(N-(2-Methoxyphenyl)-4-(methylthio)phenylsulfonamido)-N-(4-methoxypyridinShow More⌵

Mol. Formula:
C22H23N3O5S2

M.W.:
473.58

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
97.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3823245

Name:
N-(2-Isopropoxypyridin-3-yl)-2-(N-(2-methoxyphenyl)-4-methylphenylsulfonamiShow More⌵

Mol. Formula:
C24H27N3O5S

M.W.:
469.56

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3823244

Name:
N-(2-Ethoxypyridin-3-yl)-2-(N-(2-methoxyphenyl)-4-methylphenylsulfonamido)aShow More⌵

Mol. Formula:
C23H25N3O5S

M.W.:
455.54

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3823263

Name:
2-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)-N-(2-methoxypyridin-3-yl)Show More⌵

Mol. Formula:
C22H23N3O5S

M.W.:
441.51

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3822756

Name:
2-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)-N-(3-methoxypyridin-2-yl)Show More⌵

Mol. Formula:
C22H23N3O5S

M.W.:
441.51

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3823630

Name:
2-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)-N-(quinolin-6-yl)acetamidShow More⌵

Mol. Formula:
C25H23N3O4S

M.W.:
461.54

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
88.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3822992

Name:
2-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)-N-(quinolin-5-yl)acetamidShow More⌵

Mol. Formula:
C25H23N3O4S

M.W.:
461.54

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
88.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3823748

Name:
2-(N-(2-Methoxyphenyl)-4-methylphenylsulfonamido)-N-(quinolin-3-yl)acetamidShow More⌵

Mol. Formula:
C25H23N3O4S

M.W.:
461.54

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
88.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3822630

Name:
N-(2,5-Dimethoxyphenyl)-2-((2-methoxyphenyl)(4-methylbenzyl)amino)acetamide

Mol. Formula:
C25H28N2O4

M.W.:
420.51

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3824093

Name:
4-Chloro-N-(2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)-N-(2-methoxyphenyl)bShow More⌵

Mol. Formula:
C24H23ClN2O5

M.W.:
454.91

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
77.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3824293

Name:
N-(2,5-Dimethoxyphenyl)-2-(N-(2-methoxyphenyl)-4-(methylthio)phenylsulfonamShow More⌵

Mol. Formula:
C24H26N2O6S2

M.W.:
502.61

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
94.17

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3823717

Name:
2-(4-Bromo-N-(2-methoxyphenyl)phenylsulfonamido)-N-(2,5-dimethoxyphenyl)aceShow More⌵

Mol. Formula:
C23H23BrN2O6S

M.W.:
535.42

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
94.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3823568

Name:
N-(2,5-Dimethoxyphenyl)-2-(4-fluoro-N-(2-methoxyphenyl)-phenylsulfonamido)aShow More⌵

Mol. Formula:
C23H23FN2O6S

M.W.:
474.51