Compounds

ALA4592992

Name:
N-(1-(3-acrylamidophenylsulfonyl)piperidin-4-yl)-4-(2,6-dichlorobenzamido)iShow More⌵

Mol. Formula:
C27H24Cl2F3N5O7S2

M.W.:
722.55

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
137.57

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4589122

Name:
(E)-4-(2,6-dichlorobenzamido)-N-(1-(3-(4-(dimethylamino)but-2-enamido)phenyShow More⌵

Mol. Formula:
C31H34Cl2F3N7O5

M.W.:
712.56

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
122.46

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4587632

Name:
(R)-N-(1-acryloylpiperidin-3-yl)-4-(2,6-dichlorobenzamido)-1H-pyrazole-3-caShow More⌵

Mol. Formula:
C21H20Cl2F3N5O5

M.W.:
550.32

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
107.19

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4587444

Name:
N-(3-acrylamidophenyl)-4-(2,6-dichlorobenzamido)-1H-pyrazole-3-carboxamide Show More⌵

Mol. Formula:
C22H16Cl2F3N5O5

M.W.:
558.30

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
115.98

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4586749

Name:
N-(1-(4-acrylamidophenylsulfonyl)piperidin-4-yl)-4-(2,6-dichlorobenzamido)-Show More⌵

Mol. Formula:
C27H25Cl2F3N6O7S

M.W.:
705.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4586144

Name:
(R,E)-4-(2,6-dichlorobenzamido)-N-(1-(4-(4-(dimethylamino)but-2-enamido)benShow More⌵

Mol. Formula:
C31H32Cl2F3N7O6

M.W.:
726.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
139.53

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4584359

Name:
(R)-N-(1-(4-acrylamidophenylsulfonyl)pyrrolidin-3-yl)-4-(2,6-dichlorobenzamShow More⌵

Mol. Formula:
C30H32Cl2F3N7O7S

M.W.:
762.59

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
156.60

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4583677

Name:
(E)-4-(2,6-dichlorobenzamido)-N-(4-(4-(4-(dimethylamino)but-2-enamido)benzaShow More⌵

Mol. Formula:
C32H28Cl2F3N7O6

M.W.:
734.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
148.32

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4579572

Name:
(E)-4-(2,6-dichloro-3-methoxybenzamido)-N-(1-(3-(4-(dimethylamino)but-2-enaShow More⌵

Mol. Formula:
C31H34Cl2F3N7O8S

M.W.:
792.62

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
165.83

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4576258

Name:
(E)-4-(2,6-dichlorobenzamido)-N-(1-(4-(4-(dimethylamino)but-2-enamido)phenyShow More⌵

Mol. Formula:
C31H34Cl2F3N7O5

M.W.:
712.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
122.46

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4573016

Name:
N-(1-(3-acrylamidophenylsulfonyl)piperidin-4-yl)-4-(2,6-difluorobenzamido)-Show More⌵

Mol. Formula:
C27H25F5N6O7S

M.W.:
672.59

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4570828

Name:
(E)-4-(2,6-dichlorobenzamido)-N-(3-(4-(dimethylamino)but-2-enamido)benzyl)-Show More⌵

Mol. Formula:
C26H25Cl2F3N6O5

M.W.:
629.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
119.22

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4566167

Name:
N-(1-(3-acrylamidophenylsulfonyl)piperidin-4-yl)-4-(2,4,6-trifluorobenzamidShow More⌵

Mol. Formula:
C27H24F6N6O7S

M.W.:
690.58

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4565957

Name:
N-(4-(3-acrylamidobenzamido)phenyl)-4-(2,6-dichlorobenzamido)-1H-pyrazole-3Show More⌵

Mol. Formula:
C29H21Cl2F3N6O6

M.W.:
677.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
145.08

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4564826

Name:
(S,E)-4-(2,6-dichlorobenzamido)-N-(1-(4-(dimethylamino)but-2-enoyl)piperidiShow More⌵

Mol. Formula:
C24H27Cl2F3N6O5

M.W.:
607.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
110.43

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4563705

Name:
(E)-N-(1-(3-(4-(dimethylamino)but-2-enamido)phenylsulfonyl)piperidin-4-yl)-Show More⌵

Mol. Formula:
C32H38F3N7O8S

M.W.:
737.76

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
165.83

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4563703

Name:
N-(1-(3-acrylamidophenylsulfonyl)piperidin-4-yl)-4-(2,6-dichloro-3-methoxybShow More⌵

Mol. Formula:
C28H27Cl2F3N6O8S

M.W.:
735.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
162.59

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4561411

Name:
(R,E)-4-(2,6-dichlorobenzamido)-N-(1-(4-(4-(dimethylamino)but-2-enamido)pheShow More⌵

Mol. Formula:
C30H32Cl2F3N7O5

M.W.:
698.53

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
122.46

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4561393

Name:
(E)-4-(2,6-dichlorobenzamido)-N-(1-(3-(4-(dimethylamino)but-2-enamido)phenyShow More⌵

Mol. Formula:
C36H36Cl2F3N7O7S

M.W.:
838.69

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
156.60

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4560035

Name:
N-(1-(3-acrylamidobenzyl)piperidin-4-yl)-4-(2,6-dichlorobenzamido)-1H-pyrazShow More⌵

Mol. Formula:
C28H27Cl2F3N6O5

M.W.:
655.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
119.22

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS