Compounds

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
168.52

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5092902

Name:
rac-N-(1-(4-(((S)-4-Cyclohexyl-1-(1-(methylsulfonyl)-piperidin-3-yl)amino)-Show More⌵

Mol. Formula:
C35H46N6O5S

M.W.:
662.86

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5092076

Name:
N-(4-((S)-4-Cyclohexyl-1-(1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutaShow More⌵

Mol. Formula:
C34H44N6O5S

M.W.:
648.83

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5091850

Name:
rac-N((-1-(4-(((S)-4-Cyclohexyl-1-(((S)-1-(methylsulfonyl)piperidin-3-yl)amShow More⌵

Mol. Formula:
C35H46N6O5S

M.W.:
662.86

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5090756

Name:
N-((1-(4-(((S)-4-Cyclohexyl-1-(((R)-1-(methylsulfonyl)-piperidin-3-yl)aminoShow More⌵

Mol. Formula:
C35H46N6O5S

M.W.:
662.86

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
153.36

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5087073

Name:
rac-N-(1-(4-(((S)-4-Cyclohexyl-1-(1-(methylsulfonyl)-piperidin-3-yl)amino)-Show More⌵

Mol. Formula:
C33H44N6O5S

M.W.:
636.82

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
141.98

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5086352

Name:
rac-5-Amino-N-(1-(4-(((S)-4-cyclohexyl-1-(1-(methylsulfonyl)piperidin-3-yl)Show More⌵

Mol. Formula:
C30H45N7O5S

M.W.:
615.80

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
168.52

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5084386

Name:
rac-N-((S)-4-Cyclohexyl-1-(1-(methylsulfonyl)piperidin-3-yl)-amino)-1-oxobuShow More⌵

Mol. Formula:
C35H44N8O4S

M.W.:
672.86

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
151.21

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5081523

Name:
(S)-N-(4-((4-Cyclohexyl-l-oxo-1-(propylomino)buton-2-yl)carbamoyl)benzyl)-3Show More⌵

Mol. Formula:
C31H39N5O3

M.W.:
529.69

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
115.98

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5081039

Name:
5-Amino-N-(4-(((S)-4-cyclohexyl-1-(((S)-1-(methylsulfonyl)-piperidin-3-yl)aShow More⌵

Mol. Formula:
C34H45N7O5S

M.W.:
663.85

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
168.52

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5079394

Name:
rac-5-Amino-N-(4-(((S)-4-cyclohexyl-1-(1-(oxetan-3-yl)-piperidin-3-yl)aminoShow More⌵

Mol. Formula:
C36H47N7O4

M.W.:
641.82

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
143.61

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5075462

Name:
rac-5-Amino-N-(4-(((S)-4-cyclohexyl-1-(1-(cyclopropanecarbonyl)piperidin-3-Show More⌵

Mol. Formula:
C37H47N7O4

M.W.:
653.83

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
151.45

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4588351

Name:
N-(5-(1H-indazol-6-yl)-2-methylphenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C22H16F3N3O

M.W.:
395.38

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4574911

Name:
N-(3-(1H-indazol-6-yl)phenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C21H14F3N3O

M.W.:
381.36

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4558274

Name:
3-(1H-indazol-6-yl)-4-methyl-N-(3-(4-methylpiperazin-1-yl)phenyl)benzamide

Mol. Formula:
C26H27N5O

M.W.:
425.54

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4554690

Name:
N-(3-(3-amino-1H-indazol-6-yl)phenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C21H15F3N4O

M.W.:
396.37

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4551450

Name:
N-(3-(1H-indazol-6-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C22H16F3N3O

M.W.:
395.38

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4540198

Name:
N-(3-(1H-indazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C21H14F3N3O

M.W.:
381.36

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4539769

Name:
3-(1H-indazol-6-yl)-4-methyl-N-(4-(4-methylpiperazin-1-yl)phenyl)benzamide

Mol. Formula:
C26H27N5O

M.W.:
425.54

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4515189

Name:
N-(3-(3-amino-1H-indazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide

Mol. Formula:
C21H15F3N4O

M.W.:
396.37