Compounds

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
87.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4584637

Name:
N-(4-((Cyclohexylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidShow More⌵

Mol. Formula:
C21H24N4O2S

M.W.:
396.52

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4583618

Name:
N-(4-((Benzylamino)methyl)benzyl)-4-propoxythieno[2,3-d]-pyrimidine-5-carboShow More⌵

Mol. Formula:
C25H26N4O2S

M.W.:
446.58

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
76.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4580624

Name:
N-(4-((Benzylamino)methyl)benzyl)-4-methoxythieno[2,3-d]-pyrimidine-5-carboShow More⌵

Mol. Formula:
C23H22N4O2S

M.W.:
418.52

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
76.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4580116

Name:
N-(4-((Benzylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidineShow More⌵

Mol. Formula:
C22H20N4O2S

M.W.:
404.50

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4578960

Name:
N-(4-((Octylamino)methyl)benzyl)-4-methoxythieno[2,3-d]-pyrimidine-5-carboxShow More⌵

Mol. Formula:
C24H32N4O2S

M.W.:
440.61

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
76.14

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4564647

Name:
N-(4-((Benzyl(octyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyriShow More⌵

Mol. Formula:
C30H36N4O2S

M.W.:
516.71

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
78.09

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4555967

Name:
N-(4-(((2-(2-Hydroxyethoxy)ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieShow More⌵

Mol. Formula:
C19H22N4O4S

M.W.:
402.48

Type:
Unknown

AlogP:
1.01

Polar Surface Area:
116.34

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4547571

Name:
N-(4-((1,5-Dihydroxy-4-oxo-1,4-dihydropyridine-2-carboxamido)methyl)benzyl)Show More⌵

Mol. Formula:
C21H17N5O6S

M.W.:
467.46

15 activity values

12 unique targets

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
166.41

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4544475

Name:
N-(4-((Dodecylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidinShow More⌵

Mol. Formula:
C27H38N4O2S

M.W.:
482.69

36 activity values

11 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4543513

Name:
N-(4-(((5-Aminopentyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyShow More⌵

Mol. Formula:
C20H26ClN5O2S

M.W.:
435.98

15 activity values

12 unique targets

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
112.90

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4541348

Name:
N-(4-((Benzyl(ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyriShow More⌵

Mol. Formula:
C24H24N4O2S

M.W.:
432.55

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
78.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4533538

Name:
N-(4-((Benzylamino)methyl)benzyl)-4-(hexyloxy)thieno[2,3-d]-pyrimidine-5-caShow More⌵

Mol. Formula:
C28H32N4O2S

M.W.:
488.66

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
76.14

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4517402

Name:
N-(4-((Octylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5Show More⌵

Mol. Formula:
C23H30N4O2S

M.W.:
426.59

53 activity values

15 unique targets

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4513615

Name:
N-(4-((Decylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5Show More⌵

Mol. Formula:
C25H34N4O2S

M.W.:
454.64

37 activity values

12 unique targets

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4474908

Name:
N-(4-(Morpholinomethyl)benzyl)-4-propoxythieno[2,3-d]-pyrimidine-5-carboxamShow More⌵

Mol. Formula:
C22H26N4O3S

M.W.:
426.54

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
76.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4469887

Name:
N-(4-((Butylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5Show More⌵

Mol. Formula:
C19H22N4O2S

M.W.:
370.48

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
86.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4464383

Name:
4-Oxo-N-(4-(piperidin-1-ylmethyl)benzyl)-3,4-dihydrothieno[2,3-d]pyrimidineShow More⌵

Mol. Formula:
C20H22N4O2S

M.W.:
382.49

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
78.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4463176

Name:
4-Oxo-N-(4-((pentylamino)methyl)benzyl)-3,4-dihydrothieno-[2,3-d]pyrimidineShow More⌵

Mol. Formula:
C20H24N4O2S

M.W.:
384.51