Compounds

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
145.19

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3612137

Name:
Ethyl-(4-(2-oxopyridin-1(2H)-yl)benzamido)-3-(3,4,5-trimethoxybenzamido)benShow More⌵

Mol. Formula:
C31H29N3O8

M.W.:
571.59

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
134.19

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3612136

Name:
N-(4-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-3,4,5-trimethoShow More⌵

Mol. Formula:
C29H26N4O7

M.W.:
542.55

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
150.98

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3612135

Name:
N-(4-Carbamoyl-2-(3,4,5-trimethoxybenzamido)phenyl)-2-oxo-1-phenyl-1,2-dihyShow More⌵

Mol. Formula:
C29H26N4O7

M.W.:
542.55

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
150.98

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3612134

Name:
N-(5-Carbamoyl-2-(4-(2-oxopiperidin-1-yl)benzamido)phenyl)-3,4,5-trimethoxyShow More⌵

Mol. Formula:
C29H30N4O7

M.W.:
546.58

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
149.29

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3612133

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyrrolidin-1-yl)benzamido)phenyl)-3,4,5-trimethoxShow More⌵

Mol. Formula:
C28H28N4O7

M.W.:
532.55

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
149.29

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3612132

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-3,4-dichlorobeShow More⌵

Mol. Formula:
C26H18Cl2N4O4

M.W.:
521.36

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
123.29

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3612131

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)benzo[d]oxazoleShow More⌵

Mol. Formula:
C27H19N5O5

M.W.:
493.48

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
149.32

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3612130

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-5-chloro-thiopShow More⌵

Mol. Formula:
C24H17ClN4O4S

M.W.:
492.94

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
123.29

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3612129

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-6-chloronicotiShow More⌵

Mol. Formula:
C25H18ClN5O4

M.W.:
487.90

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
136.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3612127

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-4-formamidobenShow More⌵

Mol. Formula:
C27H21N5O5

M.W.:
495.50

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
152.39

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3612125

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-4-chlorobenzamShow More⌵

Mol. Formula:
C26H19ClN4O4

M.W.:
486.92

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
123.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3612124

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-4-fluorobenzamShow More⌵

Mol. Formula:
C26H19FN4O4

M.W.:
470.46

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
123.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3612121

Name:
N-(5-Carbamoyl-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)phenyl)-4-methoxybenzaShow More⌵

Mol. Formula:
C27H22N4O5

M.W.:
482.50

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
132.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA323060

Name:
[3-(3-Carbamimidoyl-phenyl)-5-(4-carbamimidoyl-phenylcarbamoyl)-4,5-dihydroShow More⌵

Mol. Formula:
C23H23F3N6O6

M.W.:
536.47

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
176.73

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA317923

Name:
5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phenyl)-pentanoic acid methylShow More⌵

Mol. Formula:
C22H25F3N4O4

M.W.:
466.46

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
126.04

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA324901

Name:
2-{(3-Carbamimidoyl-phenyl)-[3-(2'-sulfamoyl-biphenyl-4-yl)-propyl]-amino}-Show More⌵

Mol. Formula:
C26H28F3N5O5S

M.W.:
579.60

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
156.36

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA322073

Name:
3-[3-(2'-Sulfamoyl-biphenyl-4-yl)-propylamino]-benzamidine TFA

Mol. Formula:
C24H25F3N4O4S

M.W.:
522.55

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
122.06

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA321452

Name:
3-[2-(2'-Sulfamoyl-biphenyl-4-yl)-ethanesulfonylamino]-benzamidine TFA

Mol. Formula:
C23H23F3N4O6S2

M.W.:
572.59

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
156.20

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA107097

Name:
{(3-Carbamimidoyl-phenyl)-[3-(2'-sulfamoyl-biphenyl-4-yl)-propyl]-amino}-acShow More⌵

Mol. Formula:
C26H27F3N4O6S

M.W.:
580.59