Compounds

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA151033

Name:
[4-(4-Pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol

Mol. Formula:
C14H17N5O

M.W.:
271.32

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
65.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA346682

Name:
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-Show More⌵

Mol. Formula:
C18H26N6O2

M.W.:
358.45

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA151017

Name:
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pShow More⌵

Mol. Formula:
C18H26N6O2

M.W.:
358.45

Type:
Small molecule

AlogP:
0.96

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA151602

Name:
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-2-methyl-piperazin-1-yl]-Show More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA345725

Name:
1-[4-(2,6-Dimethyl-4-oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2Show More⌵

Mol. Formula:
C18H22N6O2

M.W.:
354.41

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
91.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA345259

Name:
1-[4-(2,6-Dimethyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanoShow More⌵

Mol. Formula:
C20H24N6O

M.W.:
364.45

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA147407

Name:
[4-(4-Pyrimidin-4-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol

Mol. Formula:
C13H16N6O

M.W.:
272.31

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA148835

Name:
[4-(2,3,5,6-Tetrahydro-[1,2']bipyrazinyl-4-yl)-pyrimidin-2-yl]-methanol

Mol. Formula:
C13H16N6O

M.W.:
272.31

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA148585

Name:
[4-(4-[1,3,5]Triazin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol

Mol. Formula:
C12H15N7O

M.W.:
273.30

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA150296

Name:
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-methyl-piperazin-1-yl}-pyrimShow More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA151567

Name:
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-2-methyl-piperazin-1-yl]-Show More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA347716

Name:
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-methyl-piperazin-1-yl}-pyrimShow More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA151268

Name:
{4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanoShow More⌵

Mol. Formula:
C15H20N6O

M.W.:
300.37

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA423753

Name:
{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanoShow More⌵

Mol. Formula:
C15H20N6O

M.W.:
300.37

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA348663

Name:
{4-[4-(2-Hydroxymethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methShow More⌵

Mol. Formula:
C14H18N6O2

M.W.:
302.34

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA150803

Name:
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3-methyl-piperazin-1-yl]-Show More⌵

Mol. Formula:
C17H24N6O2

M.W.:
344.42

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA149048

Name:
1-[4-(3-Methyl-4-oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]Show More⌵

Mol. Formula:
C17H20N6O2

M.W.:
340.39

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
91.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA149409

Name:
1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol

Mol. Formula:
C19H22N6O

M.W.:
350.43

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
78.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA341857

Name:
{4-[4-(1H-Benzoimidazol-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanol

Mol. Formula:
C16H18N6O

M.W.:
310.36