Compounds

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA2230219

Name:
S-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluorobenzo[d]thiazol-2Show More⌵

Mol. Formula:
C15H14FN3O4S2

M.W.:
383.43

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2230218

Name:
3-(2-(allylthio)-6-fluorobenzo[d]thiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazolShow More⌵

Mol. Formula:
C16H16FN3O2S2

M.W.:
365.46

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
60.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2230217

Name:
5-tert-butyl-3-(6-chloro-2-(3,3-dichloroallylthio)benzo[d]thiazol-5-yl)-1,3Show More⌵

Mol. Formula:
C16H14Cl3N3O2S2

M.W.:
450.80

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
60.92

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2230216

Name:
tert-butyl 2-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluorobenzoShow More⌵

Mol. Formula:
C19H22FN3O4S2

M.W.:
439.53

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2230215

Name:
tert-butyl 2-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chlorobenzoShow More⌵

Mol. Formula:
C19H22ClN3O4S2

M.W.:
455.99

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2230214

Name:
methyl 2-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chlorobenzo[d]tShow More⌵

Mol. Formula:
C16H16ClN3O4S2

M.W.:
413.91

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2230213

Name:
3-(2-(allylthio)-6-chlorobenzo[d]thiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazolShow More⌵

Mol. Formula:
C16H16ClN3O2S2

M.W.:
381.91

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
60.92

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2230212

Name:
isopropyl 2-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chlorobenzo[Show More⌵

Mol. Formula:
C18H20ClN3O4S2

M.W.:
441.96

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2230211

Name:
propyl 2-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-chlorobenzo[d]tShow More⌵

Mol. Formula:
C18H20ClN3O4S2

M.W.:
441.96

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2230210

Name:
5-tert-butyl-3-(2-(3,3-dichloroallylthio)-6-fluorobenzo[d]thiazol-5-yl)-1,3Show More⌵

Mol. Formula:
C16H14Cl2FN3O2S2

M.W.:
434.35

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
60.92

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2230209

Name:
Methyl 4-(5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-6-fluorobenzo[d]tShow More⌵

Mol. Formula:
C18H18FN3O4S2

M.W.:
423.49

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2230208

Name:
methyl 2-(6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzo[d]thShow More⌵

Mol. Formula:
C16H16BrN3O4S2

M.W.:
458.36

26 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2230207

Name:
isopropyl 2-(6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzo[dShow More⌵

Mol. Formula:
C18H20BrN3O4S2

M.W.:
486.41

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2230206

Name:
propyl 2-(6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)benzo[d]thShow More⌵

Mol. Formula:
C18H20BrN3O4S2

M.W.:
486.41

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
87.22

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2230205

Name:
3-(6-bromo-2-(3,3-dichloroallylthio)benzo[d]thiazol-5-yl)-5-tert-butyl-1,3,Show More⌵

Mol. Formula:
C16H14BrCl2N3O2S2

M.W.:
495.25

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
60.92

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2228315

Name:
methyl 2-(5-(1,3-dioxoisoindolin-2-yl)-6-fluorobenzo[d]thiazol-2-ylthio)aceShow More⌵

Mol. Formula:
C18H11FN2O4S2

M.W.:
402.43

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2228313

Name:
ethyl 2-(5-(1,3-dioxoisoindolin-2-yl)-6-fluorobenzo[d]thiazol-2-ylthio)propShow More⌵

Mol. Formula:
C20H15FN2O4S2

M.W.:
430.48

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2228311

Name:
ethyl 3-(5-(1,3-dioxoisoindolin-2-yl)-6-fluorobenzo[d]thiazol-2-ylthio)propShow More⌵

Mol. Formula:
C20H15FN2O4S2

M.W.:
430.48

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
76.57

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2228310

Name:
ethyl 2-(6-chloro-5-(1,3-dioxoisoindolin-2-yl)benzo[d]thiazol-2-ylthio)propShow More⌵

Mol. Formula:
C20H15ClN2O4S2

M.W.:
446.94