Compounds

Type:
---

AlogP:
4.55

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5220960

Name:
2-((4-(4-methylpiperazin-1-yl)benzyl)(neopentyl)amino)pyrimidine-4-carbonitShow More⌵

Mol. Formula:
C22H30N6

M.W.:
378.52

8 activity values

5 unique targets

Type:
---

AlogP:
3.15

Polar Surface Area:
59.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5220796

Name:
2-(([1,1'-biphenyl]-3-ylmethyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C23H24N4

M.W.:
356.47

Type:
---

AlogP:
5.07

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5220736

Name:
2-(benzyl(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C17H20N4

M.W.:
280.38

Type:
---

AlogP:
3.40

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5220669

Name:
2-((4-bromobenzyl)(cyclohexylmethyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C19H21BrN4

M.W.:
385.31

Type:
---

AlogP:
4.70

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5220424

Name:
2-((4-bromobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C17H19BrN4

M.W.:
359.27

5 activity values

Type:
---

AlogP:
4.16

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5220195

Name:
2-((5-bromopyridin-2-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C16H18BrN5

M.W.:
360.26

Type:
---

AlogP:
3.56

Polar Surface Area:
65.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5220016

Name:
2-((4-fluorobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C17H19FN4

M.W.:
298.37

Type:
---

AlogP:
3.54

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197995

Name:
(1R,2R)-5,5-dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(morpholine-4-carbonyl)Show More⌵

Mol. Formula:
C27H28Cl2F3N5O3

M.W.:
598.45

2 unique targets

Type:
---

AlogP:
4.81

Polar Surface Area:
100.25

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5203617

Name:
(1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More⌵

Mol. Formula:
C31H35N5O4S

M.W.:
573.72

3 activity values

Type:
---

AlogP:
4.23

Polar Surface Area:
117.32

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5203247

Name:
(1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More⌵

Mol. Formula:
C26H30F3N5O3S

M.W.:
549.62

2 unique targets

Type:
---

AlogP:
3.79

Polar Surface Area:
108.09

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5200434

Name:
(1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More⌵

Mol. Formula:
C30H32FN5O3S

M.W.:
561.68

3 activity values

Type:
---

AlogP:
4.36

Polar Surface Area:
108.09

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5219902

Name:
2-(neopentyl(quinolin-7-ylmethyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C20H21N5

M.W.:
331.42

Type:
---

AlogP:
3.95

Polar Surface Area:
65.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5219648

Name:
2-((4-bromobenzyl)(cyclohexyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C18H19BrN4

M.W.:
371.28

Type:
---

AlogP:
4.45

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5219432

Name:
2-(neopentyl(quinolin-2-ylmethyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C20H21N5

M.W.:
331.42

Type:
---

AlogP:
3.95

Polar Surface Area:
65.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5219428

Name:
2-(((4-bromothiophen-2-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C15H17BrN4S

M.W.:
365.30

Type:
---

AlogP:
4.22

Polar Surface Area:
52.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5219348

Name:
2-(([1,1'-biphenyl]-4-ylmethyl)(neopentyl)amino)pyrimidine-4-carboniirile

Mol. Formula:
C23H24N4

M.W.:
356.47

5 activity values

Type:
---

AlogP:
5.07

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5218839

Name:
2-(((2-methylthiazol-5-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C15H19N5S

M.W.:
301.42

Type:
---

AlogP:
3.17

Polar Surface Area:
65.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5218499

Name:
2-((4-chlorobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

Mol. Formula:
C17H19ClN4

M.W.:
314.82

Type:
---

AlogP:
4.05

Polar Surface Area:
52.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5192725

Name:
(1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More⌵

Mol. Formula:
C30H30F3N5O3S

M.W.:
597.66

3 activity values