Compounds

ALA5271883

Name:
2-(1-benzyl-1H-1,2,3-triazol-4-yl)-6-methoxybenzo[d]thiazole

Mol. Formula:
C17H14N4OS

M.W.:
322.39

Type:
---

AlogP:
3.61

Polar Surface Area:
52.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5271768

Name:
4-(2-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)ethyl)phenol

Mol. Formula:
C18H16N4O2S

M.W.:
352.42

Type:
---

AlogP:
3.51

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271335

Name:
2-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)ethanol

Mol. Formula:
C12H12N4O2S

M.W.:
276.32

Type:
---

AlogP:
1.56

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5270129

Name:
2-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-6-methoxybenzo[d]thiazole

Mol. Formula:
C17H13FN4OS

M.W.:
340.38

Type:
---

AlogP:
3.75

Polar Surface Area:
52.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5269718

Name:
2-(1-(4-fluorophenethyl)-1H-1,2,3-triazol-4-yl)-6-methylbenzo[d]thiazole

Mol. Formula:
C18H15FN4S

M.W.:
338.41

Type:
---

AlogP:
4.25

Polar Surface Area:
43.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5268363

Name:
7-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)heptan-1-ol

Mol. Formula:
C17H22N4O2S

M.W.:
346.46

Type:
---

AlogP:
3.51

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5278438

Name:
8-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)octan-1-ol

Mol. Formula:
C18H24N4O2S

M.W.:
360.48

Type:
---

AlogP:
3.90

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5277173

Name:
2-(1-(6-(Methylamino)pyridin-3-yl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazol-6-Show More⌵

Mol. Formula:
C15H12N6OS

M.W.:
324.37

Type:
---

AlogP:
2.69

Polar Surface Area:
88.75

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5276358

Name:
5-(4-(6-Methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)-N-methylpyridinShow More⌵

Mol. Formula:
C16H14N6OS

M.W.:
338.40

Type:
---

AlogP:
2.99

Polar Surface Area:
77.75

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5274489

Name:
Trans-2-((1r,3r)-3-chlorocyclobutane-1-carboxamido)-N-(4-(4-chlorophenyl)pyShow More⌵

Mol. Formula:
C22H18Cl2N4O2

M.W.:
441.32

Type:
---

AlogP:
5.01

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5273005

Name:
2-(2-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)ethoxy)ethanoShow More⌵

Mol. Formula:
C14H16N4O3S

M.W.:
320.37

Type:
---

AlogP:
1.57

Polar Surface Area:
82.29

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5273003

Name:
3-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-triazol-1-yl)propan-1-ol

Mol. Formula:
C13H14N4O2S

M.W.:
290.35

Type:
---

AlogP:
1.95

Polar Surface Area:
73.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5272792

Name:
4-(trifluoromethyl)benzyl 6-methoxybenzo[d]thiazole-2-carboxylate

Mol. Formula:
C17H12F3NO3S

M.W.:
367.35

Type:
---

AlogP:
4.68

Polar Surface Area:
48.42

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5285051

Name:
6-methoxy-2-(1-(4-nitrobenzyl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazole

Mol. Formula:
C17H13N5O3S

M.W.:
367.39

Type:
---

AlogP:
3.52

Polar Surface Area:
95.97

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5283139

Name:
6-methoxy-2-(1-(4-nitrophenethyl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazole

Mol. Formula:
C18H15N5O3S

M.W.:
381.42

Type:
---

AlogP:
3.71

Polar Surface Area:
95.97

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5290786

Name:
N-(3-(8-methoxy-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl)-N-methylcyShow More⌵

Mol. Formula:
C21H30N4O

M.W.:
354.50

Type:
---

AlogP:
4.31

Polar Surface Area:
43.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5290735

Name:
4-cyanobenzyl 6-methoxybenzo[d]thiazole-2-carboxylate

Mol. Formula:
C17H12N2O3S

M.W.:
324.36

Type:
---

AlogP:
3.53

Polar Surface Area:
72.21

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5290220

Name:
N-(4-(hydroxymethyl)phenyl)-6-methoxybenzo[d]thiazole-2-carboxamide

Mol. Formula:
C16H14N2O3S

M.W.:
314.37

Type:
---

AlogP:
3.05

Polar Surface Area:
71.45

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5287804

Name:
N-(3-cyanophenyl)-6-methoxybenzo[d]thiazole-2-carboxamide

Mol. Formula:
C16H11N3O2S

M.W.:
309.35

Type:
---

AlogP:
3.43

Polar Surface Area:
75.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5219520

Name:
N-cyclopropyl-3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1Show More⌵

Mol. Formula:
C16H12FN3O2S

M.W.:
329.36

1 activity values

1 unique targets

Type:
---

AlogP:
2.48

Polar Surface Area:
63.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS