Compounds

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4648294

Name:
N1-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine

Mol. Formula:
C19H36N2

M.W.:
292.51

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
38.05

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4646696

Name:
(2E/Z,6Z)-3,7,11-trimethyl-N-(3-morpholinopropyl)dodeca-2,6,10-trien-1-aminShow More⌵

Mol. Formula:
C22H40N2O

M.W.:
348.58

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4645712

Name:
N1-(3-aminopropyl)-N3-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl)propShow More⌵

Mol. Formula:
C21H41N3

M.W.:
335.58

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
50.08

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4644752

Name:
N1,N1-bis(3-aminopropyl)-N3-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyShow More⌵

Mol. Formula:
C24H48N4

M.W.:
392.68

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
67.31

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4643589

Name:
N1-(3-aminopropyl)-N4-(3-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienylamShow More⌵

Mol. Formula:
C25H50N4

M.W.:
406.70

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
62.11

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4643480

Name:
N1-(2-aminoethyl)-N2-(2-(2-(2-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trieShow More⌵

Mol. Formula:
C25H52N6

M.W.:
436.73

14 activity values

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
86.17

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4641265

Name:
N1-(2-aminoethyl)-N2-(2-(2-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienylShow More⌵

Mol. Formula:
C23H47N5

M.W.:
393.66

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
74.14

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4638933

Name:
(2E/Z,6Z)-N-(3-(4-(3-aminopropyl)piperazin-1-yl)propyl)-3,7,11-trimethyldodShow More⌵

Mol. Formula:
C25H48N4

M.W.:
404.69

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
44.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4633802

Name:
N1-(3-aminopropyl)-N1-methyl-N3-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trShow More⌵

Mol. Formula:
C22H43N3

M.W.:
349.61

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
41.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4633696

Name:
N1-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl)dodecane-1,12-diamine

Mol. Formula:
C27H52N2

M.W.:
404.73

Type:
Unknown

AlogP:
7.85

Polar Surface Area:
38.05

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4633479

Name:
N1-((2E/Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl)pentane-1,5-diamine

Mol. Formula:
C20H38N2

M.W.:
306.54

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
38.05

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4633065

Name:
(2E/Z,6Z)-N-(3-(4-(3-aminopropoxy)butoxy)propyl)-3,7,11-trimethyldodeca-2,6Show More⌵

Mol. Formula:
C25H48N2O2

M.W.:
408.67

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
56.51

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4578301

Name:
8-hydroxy-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[Show More⌵

Mol. Formula:
C23H18N6O3S

M.W.:
458.50

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
119.81

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4572391

Name:
N'-isonicotinoyl-8-methoxy-2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[Show More⌵

Mol. Formula:
C24H20N6O3S

M.W.:
472.53

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
108.81

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4564558

Name:
8-fluoro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[3Show More⌵

Mol. Formula:
C23H17FN6O2S

M.W.:
460.49

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
99.58

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4519554

Name:
N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[3,2-a]pyriShow More⌵

Mol. Formula:
C23H18N6O2S

M.W.:
442.50

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
99.58

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4475327

Name:
6-chloro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[3Show More⌵

Mol. Formula:
C23H17ClN6O2S

M.W.:
476.95

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
99.58

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4473310

Name:
N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-8-(trifluoromethoxy)-4H-benzo[4,Show More⌵

Mol. Formula:
C24H17F3N6O3S

M.W.:
526.50