Compounds

ALA1644720

Name:
2-((2,3-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimiShow More⌵

Mol. Formula:
C15H15N3O2S

M.W.:
301.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1644719

Name:
7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Mol. Formula:
C13H11N3O2S

M.W.:
273.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1644718

Name:
2-((3-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10FN3O2S

M.W.:
291.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644717

Name:
2-((3-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10BrN3O2S

M.W.:
352.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1644716

Name:
2-((3-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10ClN3O2S

M.W.:
307.76

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1644715

Name:
7-methyl-2-(p-tolyloxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Mol. Formula:
C14H13N3O2S

M.W.:
287.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644714

Name:
7-methyl-2-((3-nitrophenoxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10N4O4S

M.W.:
318.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
99.63

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1644713

Name:
2-((2-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10FN3O2S

M.W.:
291.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644712

Name:
2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimiShow More⌵

Mol. Formula:
C15H15N3O2S

M.W.:
301.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1644711

Name:
7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10N4O4S

M.W.:
318.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
99.63

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1644710

Name:
7-methyl-2-((2-nitrophenoxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10N4O4S

M.W.:
318.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
99.63

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1644709

Name:
2-((4-fluorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10FN3O2S

M.W.:
291.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644708

Name:
2-((4-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10BrN3O2S

M.W.:
352.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1644707

Name:
7-methyl-2-(m-tolyloxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Mol. Formula:
C14H13N3O2S

M.W.:
287.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644706

Name:
2-((4-chloro-3-methylphenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pShow More⌵

Mol. Formula:
C14H12ClN3O2S

M.W.:
321.79

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644705

Name:
2-((2-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10ClN3O2S

M.W.:
307.76

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1644704

Name:
7-methyl-2-(o-tolyloxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Mol. Formula:
C14H13N3O2S

M.W.:
287.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1644703

Name:
2-((2-bromophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H10BrN3O2S

M.W.:
352.21

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1641632

Name:
2-((4-chlorophenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-Show More⌵

Mol. Formula:
C13H10ClN3O2S

M.W.:
307.76

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1644702

Name:
2-((4-methoxyphenoxy)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidinShow More⌵

Mol. Formula:
C14H13N3O3S

M.W.:
303.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
65.72

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS