Compounds

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4568222

Name:
5-((3aS,5R,6R,6aS)-6-((E)-dodec-1-en-1-yl)-5-hydroxy-1,3a,4,5,6,6a-hexahydrShow More⌵

Mol. Formula:
C25H42O3

M.W.:
390.61

Type:
Unknown

AlogP:
6.66

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4539102

Name:
5-Benzyl-2-p-tolyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C19H16N4O

M.W.:
316.36

14 activity values

5 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4537512

Name:
5-((3aS,5R,6R,6aS)-5-hydroxy-6-((E)-3-phenylprop-1-en-1-yl)-1,3a,4,5,6,6a-hShow More⌵

Mol. Formula:
C22H28O3

M.W.:
340.46

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4525410

Name:
5-(4-Chloro-benzyl)-2-(4-fluoro-benzyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-Show More⌵

Mol. Formula:
C19H14ClFN4O

M.W.:
368.80

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

isocarbacyclin

Name:
Isocarbacyclin

Mol. Formula:
C21H34O4

M.W.:
350.50

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4514017

Name:
2-Benzyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C18H14N4O

M.W.:
302.34

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4474152

Name:
2-(4-Fluoro-benzyl)-5-(4-methyl-benzyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-Show More⌵

Mol. Formula:
C20H17ClN4O

M.W.:
364.84

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4473592

Name:
5-Benzyl-2-(4-methyl-benzyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C20H18N4O

M.W.:
330.39

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4469197

Name:
5-(4-Chloro-phenyl)-2-pentyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C16H17ClN4O

M.W.:
316.79

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4467053

Name:
Deoxy-isocarbacyclin

Mol. Formula:
C21H34O3

M.W.:
334.50

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4463919

Name:
2-(4-Chloro-benzyl)-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C18H13ClN4O

M.W.:
336.78

8 activity values

3 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4463715

Name:
5-(4-Chloro-benzyl)-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C18H13ClN4O

M.W.:
336.78

14 activity values

5 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4460204

Name:
2-(4-Fluoro-benzyl)-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C18H13FN4O

M.W.:
320.33

8 activity values

3 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4455673

Name:
5-(4-Chloro-phenyl)-2-(4-methyl-benzyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-Show More⌵

Mol. Formula:
C19H15ClN4O

M.W.:
350.81

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4451779

Name:
5-(4-chlorophenyl)-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C17H11ClN4O

M.W.:
322.76

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4441302

Name:
5-((3aS,5R,6R,6aS)-5-hydroxy-6-vinyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl)pShow More⌵

Mol. Formula:
C15H22O3

M.W.:
250.34

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4440600

Name:
5-(4-Chloro-phenyl)-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C17H19ClN4O

M.W.:
330.82

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4440021

Name:
5-Benzyl-2-(4-chloro-benzyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Mol. Formula:
C19H15ClN4O

M.W.:
350.81