Compounds

1 unique targets

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
106.81

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4563218

Name:
3-(6-(4-acetylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-cShow More⌵

Mol. Formula:
C21H14N4O3S

M.W.:
402.44

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
90.35

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4543198

Name:
2-(furan-2-yl)-2-oxo-N'-(4-(trifluoromethyl)phenyl)acetohydrazonoyl cyanide

Mol. Formula:
C14H8F3N3O2

M.W.:
307.23

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
78.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4539544

Name:
3-(6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-chShow More⌵

Mol. Formula:
C19H11BrN4O2S

M.W.:
439.29

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4519233

Name:
3-(6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-Show More⌵

Mol. Formula:
C20H14N4O3S

M.W.:
390.42

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
82.51

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4473974

Name:
3-(6-(biphenyl-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-chShow More⌵

Mol. Formula:
C25H16N4O2S

M.W.:
436.50

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4471499

Name:
N'-(3-chlorophenyl)-2-(furan-2-yl)-2-oxoacetohydrazonoyl cyanide

Mol. Formula:
C13H8ClN3O2

M.W.:
273.68

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
78.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4464038

Name:
3-(6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-Show More⌵

Mol. Formula:
C19H10Cl2N4O2S

M.W.:
429.29

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4459992

Name:
3-(6-p-tolyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-chromen-2-Show More⌵

Mol. Formula:
C20H14N4O2S

M.W.:
374.43

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4452785

Name:
7-((1R,2S,3E,5Z)-8-(3,4-dichlorophenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phShow More⌵

Mol. Formula:
C31H23Cl2F3O6S

M.W.:
651.49

Type:
Unknown

AlogP:
8.59

Polar Surface Area:
96.97

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4452542

Name:
3,3'-(7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-3,6-diyl)bis(2H-chromen-2Show More⌵

Mol. Formula:
C22H12N4O4S

M.W.:
428.43

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
103.49

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4441645

Name:
3-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-cShow More⌵

Mol. Formula:
C19H11ClN4O2S

M.W.:
394.84

3 activity values

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4439249

Name:
3-(6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-cShow More⌵

Mol. Formula:
C19H11FN4O2S

M.W.:
378.39

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
73.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4434896

Name:
3-(6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2H-chShow More⌵

Mol. Formula:
C19H11N5O4S

M.W.:
405.40

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
116.42

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4216987

Name:
Dregamine(2'-ethylbutylidene)hydrazone

Mol. Formula:
C27H38N4O2

M.W.:
450.63

10 activity values

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
70.05

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4216851

Name:
Dregamine(4'-methylbenzylidene)hydrazone

Mol. Formula:
C29H34N4O2

M.W.:
470.62

8 activity values

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
70.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4216655

Name:
Tabernaemontanine(4'-hydroxy-3'-methoxybenzylidene)hydrazone

Mol. Formula:
C29H34N4O4

M.W.:
502.62

13 activity values

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
99.51

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4216422

Name:
Tabernaemontanine(2',2'-dimethylpropylidene)hydrazone

Mol. Formula:
C26H36N4O2

M.W.:
436.60

10 activity values

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
70.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4215945

Name:
Tabernaemontanine(3'-bromobenzylidene)hydrazone

Mol. Formula:
C28H31BrN4O2

M.W.:
535.49

10 activity values

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
70.05

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4215405

Name:
Dregamine(3'-chlorobenzylidene)hydrazone

Mol. Formula:
C28H31ClN4O2

M.W.:
491.04

7 activity values