Compounds

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
66.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3342875

Name:
N-butyl-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8-azaspiro[Show More⌵

Mol. Formula:
C24H38N4O4

M.W.:
446.59

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
66.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3342874

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-N-phenyl-1,4-dioxa-8-azaspiroShow More⌵

Mol. Formula:
C26H34N4O4

M.W.:
466.58

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
66.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3342873

Name:
8-Methanesulfonyl-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8Show More⌵

Mol. Formula:
C20H31N3O5S

M.W.:
425.55

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
71.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3342872

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(thiophene-2-sulfonyl)-1,4-Show More⌵

Mol. Formula:
C23H31N3O5S2

M.W.:
493.65

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
71.55

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3342871

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(3-nitrobenzenesulfonyl)-1,Show More⌵

Mol. Formula:
C25H32N4O7S

M.W.:
532.62

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
114.69

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3342870

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(4-nitrobenzenesulfonyl)-1,Show More⌵

Mol. Formula:
C25H32N4O7S

M.W.:
532.62

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
114.69

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3342869

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-[4(trifluoromethoxy)benzeneShow More⌵

Mol. Formula:
C26H32F3N3O6S

M.W.:
571.62

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
80.78

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3342868

Name:
8-(4-Chlorobenzenesulfonyl)-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1Show More⌵

Mol. Formula:
C25H32ClN3O5S

M.W.:
522.07

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
71.55

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3342867

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(4-methylbenzenesulfonyl)-1Show More⌵

Mol. Formula:
C26H35N3O5S

M.W.:
501.65

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
71.55

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3342866

Name:
8-(Benzenesulfonyl)-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxaShow More⌵

Mol. Formula:
C25H33N3O5S

M.W.:
487.62

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
71.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3342865

Name:
2,2,2-Trifluoro-1-(2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-Show More⌵

Mol. Formula:
C21H28F3N3O4

M.W.:
443.47

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3342864

Name:
1-(2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]dShow More⌵

Mol. Formula:
C21H31N3O4

M.W.:
389.50

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3342863

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(pyrrolidine-2-carbonyl)-1,Show More⌵

Mol. Formula:
C24H36N4O4

M.W.:
444.58

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
66.51

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3342862

Name:
8-Cyclohexanecarbonyl-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioShow More⌵

Mol. Formula:
C26H39N3O4

M.W.:
457.62

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3342861

Name:
8-(Furan-2-carbonyl)-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxShow More⌵

Mol. Formula:
C24H31N3O5

M.W.:
441.53

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
67.62

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3342860

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-[4-(trifluoromethyl)benzoylShow More⌵

Mol. Formula:
C27H32F3N3O4

M.W.:
519.56

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3342859

Name:
8-Benzoyl-2-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,4-dioxa-8-azaspirShow More⌵

Mol. Formula:
C26H33N3O4

M.W.:
451.57

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3342858

Name:
2-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-8-(pyridin-2-yl)-1,4-dioxa-8-Show More⌵

Mol. Formula:
C24H32N4O3

M.W.:
424.55