Compounds

Type:
---

AlogP:
2.18

Polar Surface Area:
156.00

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5205935

Name:
5-((5-methyl-2-((6-(4-methylpiperazin-1yl)pyridin-3-yl)amino)pyrimidin-4yl)Show More⌵

Mol. Formula:
C22H24N8O2

M.W.:
432.49

10 activity values

5 unique targets

Type:
---

AlogP:
2.85

Polar Surface Area:
115.21

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5204815

Name:
3-((5-methyl-4-((3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)amino)pyrimiShow More⌵

Mol. Formula:
C19H18N6O4S

M.W.:
426.46

2 activity values

2 unique targets

Type:
---

AlogP:
2.25

Polar Surface Area:
148.33

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5204721

Name:
N-(3-((5-methyl-4-((2-oxo-2,3dihydrobenzo[d]oxazol-5-yl)amino)pyrimidin-2ylShow More⌵

Mol. Formula:
C19H18N6O4S

M.W.:
426.46

2 activity values

2 unique targets

Type:
---

AlogP:
3.08

Polar Surface Area:
142.01

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5204045

Name:
4-((5-methyl-4-((2-oxo-2,3-dihydrobenzo[d]oxazol5-yl)amino)pyrimidin-2yl)amShow More⌵

Mol. Formula:
C18H16N6O4S

M.W.:
412.43

Type:
---

AlogP:
2.35

Polar Surface Area:
156.00

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5203646

Name:
5-((2-((4-fluoro-3-(trifluoromethyl)phenyl)amino)-5methylpyrimidin-4-yl)amiShow More⌵

Mol. Formula:
C19H13F4N5O2

M.W.:
419.34

5 activity values

Type:
---

AlogP:
4.86

Polar Surface Area:
95.84

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5203476

Name:
3-((4-((2-methoxybenzo[d]thiazol-6-yl)amino)-5methylpyrimidin-2-yl)amino)beShow More⌵

Mol. Formula:
C19H18N6O3S2

M.W.:
442.53

Type:
---

AlogP:
3.54

Polar Surface Area:
132.12

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5201990

Name:
3-((5-methyl-4-((3-methyl-2-oxo-2,3dihydrobenzo[d]oxazol-6-yl)amino)pyrimidShow More⌵

Mol. Formula:
C19H18N6O4S

M.W.:
426.46

Type:
---

AlogP:
2.36

Polar Surface Area:
145.14

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5199794

Name:
3-((5-methyl-4-((2-oxo-2,3-dihydro-1Hbenzo[d]imidazol-5-yl)amino)pyrimidin-Show More⌵

Mol. Formula:
C18H17N7O3S

M.W.:
411.45

Type:
---

AlogP:
2.09

Polar Surface Area:
158.65

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5209379

Name:
5-(2-(3-(difluoromethyl)-5-methoxyphenylamino)-5methylpyrimidin-4-ylamino)bShow More⌵

Mol. Formula:
C20H17F2N5O3

M.W.:
413.38

7 activity values

Type:
---

AlogP:
4.65

Polar Surface Area:
105.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5208935

Name:
3-((4-((2,2-difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)amino)-5Show More⌵

Mol. Formula:
C19H16F2N6O4S

M.W.:
462.44

Type:
---

AlogP:
2.84

Polar Surface Area:
148.33

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5207437

Name:
5-((5-methyl-2-((6-morpholinopyridin-3yl)amino)pyrimidin-4-yl)amino)benzo[dShow More⌵

Mol. Formula:
C21H21N7O3

M.W.:
419.45

3 activity values

3 unique targets

Type:
---

AlogP:
2.94

Polar Surface Area:
121.20

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5194652

Name:
4-((5-methyl-4-((2-oxo-2,3-dihydrobenzo[d]oxazol-5yl)amino)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C19H14N6O2

M.W.:
358.36

2 activity values

2 unique targets

Type:
---

AlogP:
3.58

Polar Surface Area:
119.63

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5192889

Name:
5-((5-methyl-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4yl)amino)benzo[d]oShow More⌵

Mol. Formula:
C21H21N5O5

M.W.:
423.43

6 activity values

Type:
---

AlogP:
3.73

Polar Surface Area:
123.53

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5192620

Name:
3-((4-((1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)-5-meShow More⌵

Mol. Formula:
C20H21N7O3S

M.W.:
439.50

Type:
---

AlogP:
2.11

Polar Surface Area:
136.93

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5192063

Name:
5-((2-((4-methoxy-3-(trifluoromethyl)phenyl)amino)-5-methylpyrimidin-4-yl)aShow More⌵

Mol. Formula:
C20H16F3N5O3

M.W.:
431.37

6 activity values

Type:
---

AlogP:
4.73

Polar Surface Area:
105.07

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5191312

Name:
5-((5-methyl-2-((3(methylsulfonyl)phenyl)amino)pyrimidin-4yl)amino)benzo[d]Show More⌵

Mol. Formula:
C19H17N5O4S

M.W.:
411.44

4 activity values

3 unique targets

Type:
---

AlogP:
3.11

Polar Surface Area:
129.98

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5190167

Name:
3-((5-methyl-4-((1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)Show More⌵

Mol. Formula:
C19H19N7O3S

M.W.:
425.47

Type:
---

AlogP:
2.10

Polar Surface Area:
147.79

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5189275

Name:
3-((5-methyl-4-((3-methyl-2-oxo-2,3dihydrobenzo[d]oxazol-5-yl)amino)pyrimidShow More⌵

Mol. Formula:
C19H18N6O4S

M.W.:
426.46