Compounds

ALA3085357

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-(1H-imidazol-5-yShow More⌵

Mol. Formula:
C21H30BrN3O3

M.W.:
452.39

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
95.08

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3085356

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-(1H-indol-3-yl)pShow More⌵

Mol. Formula:
C26H33BrN2O3

M.W.:
501.47

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
82.19

HBA:
2

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA245421

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)pentanedioic acid

Mol. Formula:
C20H30BrNO5

M.W.:
444.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA245420

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)succinic acid

Mol. Formula:
C19H28BrNO5

M.W.:
430.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
103.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA245419

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-(4-hydroxyphenylShow More⌵

Mol. Formula:
C24H32BrNO4

M.W.:
478.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA393170

Name:
(S)-5-amino-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-5-oxopentaShow More⌵

Mol. Formula:
C20H31BrN2O4

M.W.:
443.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
109.49

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA415335

Name:
(S)-4-amino-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-4-oxobutanShow More⌵

Mol. Formula:
C19H29BrN2O4

M.W.:
429.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
109.49

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA248484

Name:
(2S,3R)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-hydroxybutanShow More⌵

Mol. Formula:
C19H30BrNO4

M.W.:
416.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA248483

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-hydroxypropanoicShow More⌵

Mol. Formula:
C18H28BrNO4

M.W.:
402.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA248482

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-4-(methylthio)butaShow More⌵

Mol. Formula:
C20H32BrNO3S

M.W.:
446.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA245822

Name:
(S)-1-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienoyl)pyrrolidine-2-carboxyShow More⌵

Mol. Formula:
C20H30BrNO3

M.W.:
412.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA392327

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-phenylpropanoic Show More⌵

Mol. Formula:
C24H32BrNO3

M.W.:
462.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA245821

Name:
(2S,3S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-methylpentanShow More⌵

Mol. Formula:
C21H34BrNO3

M.W.:
428.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA245620

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-4-methylpentanoic Show More⌵

Mol. Formula:
C21H34BrNO3

M.W.:
428.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA398018

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-methylbutanoic aShow More⌵

Mol. Formula:
C20H32BrNO3

M.W.:
414.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA246022

Name:
(S)-2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)propanoic acid

Mol. Formula:
C18H28BrNO3

M.W.:
386.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA247052

Name:
2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)acetic acid

Mol. Formula:
C17H26BrNO3

M.W.:
372.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA399007

Name:
(S)-methyl 2-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-3-(1H-imidaShow More⌵

Mol. Formula:
C22H32BrN3O3

M.W.:
466.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
84.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA247262

Name:
(S)-4-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-5-methoxy-5-oxopenShow More⌵

Mol. Formula:
C21H32BrNO5

M.W.:
458.39

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA247261

Name:
(S)-3-(11-bromo-4,4,7-trimethyldodeca-2,6,10-trienamido)-4-methoxy-4-oxobutShow More⌵

Mol. Formula:
C20H30BrNO5

M.W.:
444.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS