Compounds

Type:
Unknown

AlogP:
7.23

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4590387

Name:
2,4-Dichloro-N-((1-(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-piperazin-1-yl)cShow More⌵

Mol. Formula:
C22H30Cl3N5O3S

M.W.:
550.94

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
87.54

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4588023

Name:
(2R)-4-Methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic Acid

Mol. Formula:
C24H45NO3

M.W.:
395.63

Type:
Unknown

AlogP:
6.64

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4587165

Name:
(2S)-6-Amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoic acid Hydrochloride

Mol. Formula:
C24H47ClN2O3

M.W.:
447.10

16 activity values

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
92.42

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4583686

Name:
2-Amino-6-chloro-N-((1-(4-(phenylsulfonyl)piperazin-1-yl)-cyclohexyl)methylShow More⌵

Mol. Formula:
C24H32Cl2N4O3S

M.W.:
527.52

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4582587

Name:
2,4-Dichloro-N-((4,4-difluoro-1-(4-((1-methyl-1H-1,2,3-triazol-4-yl)sulfonyShow More⌵

Mol. Formula:
C21H27Cl3F2N6O3S

M.W.:
587.91

4 activity values

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
100.43

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4581616

Name:
2-Amino-6-chloro-N-((1-(4-(methylsulfonyl)piperazin-1-yl)-cyclohexyl)methylShow More⌵

Mol. Formula:
C19H30Cl2N4O3S

M.W.:
465.45

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4580509

Name:
2-Amino-6-chloro-N-((1-(4-(ethylsulfonyl)piperazin-1-yl)-cyclohexyl)methyl)Show More⌵

Mol. Formula:
C20H32Cl2N4O3S

M.W.:
479.47

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4579970

Name:
2-Amino-6-chloro-N-((1-(4-(propylsulfonyl)-piperazin-1-yl)cyclohexyl)methylShow More⌵

Mol. Formula:
C21H34Cl2N4O3S

M.W.:
493.50

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4579165

Name:
2,4-Dichloro-N-((1-(4-((1-methyl-1H-1,2,3-triazol-4-yl)sulfonyl)-piperazin-Show More⌵

Mol. Formula:
C21H29Cl3N6O3S

M.W.:
551.93

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
100.43

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4578795

Name:
(R)-2-oleamidopropanoic acid

Mol. Formula:
C21H39NO3

M.W.:
353.55

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4578210

Name:
2-Amino-N-((1-(4-(benzylsulfonyl)piperazin-1-yl)cyclohexyl)-methyl)-6-chlorShow More⌵

Mol. Formula:
C25H34Cl2N4O3S

M.W.:
541.55

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4576550

Name:
(2R)-2-[[(Z)-Octadec-9-enoyl]amino]butanedioic Acid

Mol. Formula:
C22H39NO5

M.W.:
397.56

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4576431

Name:
(2R)-4-Methylsulfanyl-2-[[(Z)-octadec-9-enoyl]amino]butanoic Acid

Mol. Formula:
C23H43NO3S

M.W.:
413.67

Type:
Unknown

AlogP:
6.35

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4573115

Name:
2-Chloro-N-((4,4-difluoro-1-(4-((1-methyl-1H-imidazol-4-yl)-sulfonyl)piperaShow More⌵

Mol. Formula:
C22H28Cl2F3N5O3S

M.W.:
570.47

4 activity values

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
87.54

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4572247

Name:
(2S)-5-Amino-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid Hydrochloride

Mol. Formula:
C23H45ClN2O3

M.W.:
433.08

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
92.42

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4572086

Name:
2-Chloro-N-((4,4-difluoro-1-(4-((1-methyl-1H-imidazol-4-yl)-sulfonyl)piperaShow More⌵

Mol. Formula:
C23H28Cl2F5N5O4S

M.W.:
636.47

4 activity values

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
96.77

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4565929

Name:
2,4-Dichloro-N-((1-(4-(propylsulfonyl)piperazin-1-yl)cyclohexyl)-methyl)benShow More⌵

Mol. Formula:
C21H32Cl3N3O3S

M.W.:
512.93

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4562565

Name:
(2S)-5-Guanidino-2-[[(Z)-octadec-9-enoyl]amino]pentanoic Acid dihydrochloriShow More⌵

Mol. Formula:
C24H48Cl2N4O3

M.W.:
511.58