Compounds

ALA5271313

Name:
4-[(4aR)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-6-fluoShow More⌵

Mol. Formula:
C21H18FN5O2

M.W.:
391.41

Type:
---

AlogP:
2.74

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5269255

Name:
4-[4-[2-(cyclopropoxy)phenyl]piperazin-1-yl]-6-fluoro-8-methoxy-cinnoline-3Show More⌵

Mol. Formula:
C23H22FN5O2

M.W.:
419.46

Type:
---

AlogP:
3.52

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5268103

Name:
4-[(4aS)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-8-methShow More⌵

Mol. Formula:
C22H18F3N5O2

M.W.:
441.41

Type:
---

AlogP:
3.62

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5282643

Name:
4-[(4aS)-10-fluoro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-Show More⌵

Mol. Formula:
C21H17F2N5O2

M.W.:
409.40

Type:
---

AlogP:
2.88

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5281472

Name:
4-[(4aR)-10-fluoro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-Show More⌵

Mol. Formula:
C21H17F2N5O2

M.W.:
409.40

Type:
---

AlogP:
2.88

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5279292

Name:
6-fluoro-8-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]cinnoline-3-carboniShow More⌵

Mol. Formula:
C21H20FN5O2

M.W.:
393.42

Type:
---

AlogP:
2.98

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5273386

Name:
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoxalin-3-yl)-6-fluoro-8-methoxyShow More⌵

Mol. Formula:
C21H19FN6O

M.W.:
390.42

Type:
---

AlogP:
2.77

Polar Surface Area:
77.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5286074

Name:
6-fluoro-4-(10-fluoro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazinShow More⌵

Mol. Formula:
C21H17F2N5O2

M.W.:
409.40

Type:
---

AlogP:
2.88

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5285846

Name:
6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-8-methoxy-cinnoline-3-carboniShow More⌵

Mol. Formula:
C20H17F2N5O

M.W.:
381.39

Type:
---

AlogP:
3.11

Polar Surface Area:
65.28

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5285820

Name:
4-[(4aR)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-8-methShow More⌵

Mol. Formula:
C22H18F3N5O2

M.W.:
441.41

Type:
---

AlogP:
3.62

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5290711

Name:
4-[(4aS)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-6-fluoShow More⌵

Mol. Formula:
C21H18FN5O2

M.W.:
391.41

Type:
---

AlogP:
2.74

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5288733

Name:
6-fluoro-8-methoxy-4-(5-oxo-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxaliShow More⌵

Mol. Formula:
C21H17FN6O2

M.W.:
404.41

Type:
---

AlogP:
2.30

Polar Surface Area:
94.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5288109

Name:
6-fluoro-4-[4-(2-isopropoxyphenyl)piperazin-1-yl]-8-methoxy-cinnoline-3-carShow More⌵

Mol. Formula:
C23H24FN5O2

M.W.:
421.48

Type:
---

AlogP:
3.76

Polar Surface Area:
74.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5207640

Name:
2-(5-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenyl)-5-(3,4-dimethoxyphenyl)-1,3Show More⌵

Mol. Formula:
C20H17ClN4O3

M.W.:
396.83

12 activity values

3 unique targets

Type:
---

AlogP:
4.47

Polar Surface Area:
75.20

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5203522

Name:
2-(5-chloro-2-(1H-pyrazol-4-yl)phenyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiaShow More⌵

Mol. Formula:
C19H15ClN4O3

M.W.:
382.81

4 activity values

2 unique targets

Type:
---

AlogP:
4.46

Polar Surface Area:
86.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5202961

Name:
N-(2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl)-2-(3-methoxy-4-(oxShow More⌵

Mol. Formula:
C21H19F3N4O6

M.W.:
480.40

6 activity values

2 unique targets

Type:
---

AlogP:
2.97

Polar Surface Area:
105.96

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5201166

Name:
5-(5-chloro-4-fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl)-3-(3,4-dimethoxyphenyShow More⌵

Mol. Formula:
C18H13ClFN5O3

M.W.:
401.79

4 activity values

2 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5200712

Name:
5-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-3-(2-fluoro-3,4-dimethoxyphenyShow More⌵

Mol. Formula:
C18H13ClFN5O3

M.W.:
401.79

4 activity values

2 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5197933

Name:
5-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-Show More⌵

Mol. Formula:
C18H14ClN5O3

M.W.:
383.80

6 activity values

2 unique targets

Type:
---

AlogP:
3.65

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5190992

Name:
5-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-3-(3-fluoro-4,5-dimethoxyphenyShow More⌵

Mol. Formula:
C18H13ClFN5O3

M.W.:
401.79

6 activity values

2 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS