Compounds

ALA4593192

Name:
(1E,4E)-1-(4-Nitrophenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-oShow More⌵

Mol. Formula:
C18H17N3O3

M.W.:
323.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
85.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4582307

Name:
(1E,4E)-1-(p-Tolyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-one

Mol. Formula:
C19H20N2O

M.W.:
292.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4557225

Name:
(1E,4E)-1-(2-Methoxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C19H20N2O2

M.W.:
308.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
52.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4541862

Name:
(1E,4E)-1-(3-Methoxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C19H20N2O2

M.W.:
308.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
52.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4541266

Name:
(1E,4E)-1-(4-Methoxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C19H20N2O2

M.W.:
308.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
52.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4526106

Name:
(1E,4E)-1-(4-Hydroxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C18H18N2O2

M.W.:
294.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
63.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4518879

Name:
(1E,4E)-1-(4-Chlorophenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-Show More⌵

Mol. Formula:
C18H17ClN2O

M.W.:
312.80

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4469565

Name:
(1E,4E)-1-(4-Fluorophenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-Show More⌵

Mol. Formula:
C18H17FN2O

M.W.:
296.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4465438

Name:
(1E,4E)-1-(Benzo[d][1,3]dioxol-5-yl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1Show More⌵

Mol. Formula:
C19H18N2O3

M.W.:
322.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
61.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4464149

Name:
(1E,4E)-1-(3-Nitrophenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-oShow More⌵

Mol. Formula:
C18H17N3O3

M.W.:
323.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
85.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4463300

Name:
(1E,4E)-1-(4-(Trifluoromethyl)phenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-Show More⌵

Mol. Formula:
C19H17F3N2O

M.W.:
346.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4449505

Name:
(1E,4E)-1-(2-Nitrophenyl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-oShow More⌵

Mol. Formula:
C18H17N3O3

M.W.:
323.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
85.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4445793

Name:
(1E,4E)-1-(3-Hydroxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C18H18N2O2

M.W.:
294.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
63.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4439442

Name:
(1E,4E)-1-(Naphthalen-2-yl)-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3Show More⌵

Mol. Formula:
C22H20N2O

M.W.:
328.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4437453

Name:
(1E,4E)-1-Phenyl-5-(3,5,6-trimethylpyrazin-2-yl)penta-1,4-dien-3-one

Mol. Formula:
C18H18N2O

M.W.:
278.36

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4437072

Name:
(1E,4E)-1-(2-Hydroxyphenyl)-5-(3,5,6-trimethylpyrazin-2-yl)-penta-1,4-dien-Show More⌵

Mol. Formula:
C18H18N2O2

M.W.:
294.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
63.08

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS