Compounds

ALA4295116

Name:
Methyl 6-[(5-phenacylsulfanyl-[1,3,4]-oxadiazol-2-yl)methoxy]benzothiazole-Show More⌵

Mol. Formula:
C20H16N4O5S2

M.W.:
456.51

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
116.44

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4293775

Name:
Methyl 6-[(5-(allylsulfanyl)-[1,3,4]-oxadiazol-2-yl)-methoxy]benzothiazole-Show More⌵

Mol. Formula:
C15H14N4O4S2

M.W.:
378.44

7 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
99.37

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4291687

Name:
Methyl 6-[(4-(4-chlorophenyl)-5-sulfanyl-[1,2,4]-triazol-3-yl)methoxy]benzoShow More⌵

Mol. Formula:
C18H14ClN5O3S2

M.W.:
447.93

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
91.16

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4291456

Name:
Methyl 6-[(4-(4-methylphenyl)-5-sulfanyl-[1,2,4]-triazol-3-yl)methoxy]benzoShow More⌵

Mol. Formula:
C19H17N5O3S2

M.W.:
427.51

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
91.16

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4290601

Name:
Methyl 6-[(5-(chloroacetylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]benzothiShow More⌵

Mol. Formula:
C14H11ClN4O5S2

M.W.:
414.85

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
116.44

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4290374

Name:
Methyl 6-[(5-(methylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]benzothiazole-Show More⌵

Mol. Formula:
C13H12N4O4S2

M.W.:
352.40

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
99.37

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4287184

Name:
Methyl 6-[(5-(4-chlorophenacylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]benzShow More⌵

Mol. Formula:
C20H15ClN4O5S2

M.W.:
490.95

7 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
116.44

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4283830

Name:
Methyl 6-[((5-ethoxycarbonylmethylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]Show More⌵

Mol. Formula:
C16H16N4O6S2

M.W.:
424.46

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
125.67

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4283602

Name:
Methyl 6-[(4-phenyl-5-sulfanyl-[1,2,4]-triazol-3-yl)-methoxy]benzothiazole-Show More⌵

Mol. Formula:
C18H15N5O3S2

M.W.:
413.48

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
91.16

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4283196

Name:
Methyl 6-[(5-(benzylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]benzothiazole-Show More⌵

Mol. Formula:
C19H16N4O4S2

M.W.:
428.50

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
99.37

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4279955

Name:
Methyl 6-[(5-(4-bromophenacylsulfanyl)-[1,3,4]-oxadiazol-2-yl)methoxy]benzoShow More⌵

Mol. Formula:
C20H15BrN4O5S2

M.W.:
535.40

6 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
116.44

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4279718

Name:
Methyl 6-[(5-(ethylsulfanyl)-[1,3,4]-oxadiazol-2-yl)-methoxy]benzothiazole-Show More⌵

Mol. Formula:
C14H14N4O4S2

M.W.:
366.42

8 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
99.37

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS