Compounds

ALA1083617

Name:
(1S,4S)-2-methyl-5-(5-phenylpyrazin-2-yl)-2,5-diaz
Show More⌵

Mol. Formula:
C16H18N4

M.W.:
266.35

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
32.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1083616

Name:
2-methyl-5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2
Show More⌵

Mol. Formula:
C19H21N5

M.W.:
319.41

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1083615

Name:
6-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C18H19N5

M.W.:
305.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1082315

Name:
4-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C18H19N5

M.W.:
305.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1083614

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C19H18F3N5

M.W.:
373.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1083304

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C18H19N5

M.W.:
305.38

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1083303

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C17H18N6

M.W.:
306.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
60.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1083302

Name:
(1S,4S)-2-(6-(benzo[b]thiophen-5-yl)pyridazin-3-yl
Show More⌵

Mol. Formula:
C18H18N4S

M.W.:
322.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
32.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1083301

Name:
(1S,4S)-2-(6-(benzofuran-5-yl)pyridazin-3-yl)-5-me
Show More⌵

Mol. Formula:
C18H18N4O

M.W.:
306.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
45.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1082655

Name:
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di
Show More⌵

Mol. Formula:
C16H18N4

M.W.:
266.35

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
32.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1085779

Name:
6-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C19H20N4

M.W.:
304.40

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1085778

Name:
4-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C19H20N4

M.W.:
304.40

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1086481

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C20H19F3N4

M.W.:
372.39

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1086480

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C19H20N4

M.W.:
304.40

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1085091

Name:
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C18H19N5

M.W.:
305.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1085090

Name:
(1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-
Show More⌵

Mol. Formula:
C19H19N3S

M.W.:
321.45

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
19.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1085089

Name:
(1S,4S)-2-(5-(benzofuran-5-yl)pyridin-2-yl)-5-meth
Show More⌵

Mol. Formula:
C19H19N3O

M.W.:
305.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
32.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1085824

Name:
(1S,4S)-2-methyl-5-(5-phenylpyridin-2-yl)-2,5-diaz
Show More⌵

Mol. Formula:
C17H19N3

M.W.:
265.36

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
19.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA1085599

Name:
4-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C18H19N5

M.W.:
305.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1086525

Name:
5-(2-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept
Show More⌵

Mol. Formula:
C19H18F3N5

M.W.:
373.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS