Compounds

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4876897

Name:
3-(5-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe
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Mol. Formula:
C29H30FN5O

M.W.:
483.59

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4876142

Name:
3-(2-(4-(4-(4-methoxy-2-oxopyridin-1(2H)-yl)phenyl
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Mol. Formula:
C27H27N5O2

M.W.:
453.55

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
77.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4874384

Name:
3-(3-(4-(4-(1-oxoisoquinolin-2(1H)-yl)phenyl)piper
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Mol. Formula:
C31H29N5O

M.W.:
487.61

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4874141

Name:
3-(5-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)
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Mol. Formula:
C30H33N5O

M.W.:
479.63

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4872189

Name:
3-(4-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin
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Mol. Formula:
C28H29N5O

M.W.:
451.57

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4870130

Name:
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl
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Mol. Formula:
C30H28N6O

M.W.:
488.60

7 activity values

6 unique targets

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
80.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4867688

Name:
3-(3-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin
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Mol. Formula:
C27H27N5O

M.W.:
437.55

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4867414

Name:
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl
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Mol. Formula:
C31H30N6O

M.W.:
502.62

19 activity values

7 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
80.95

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4866826

Name:
3-(4-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe
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Mol. Formula:
C28H28FN5O

M.W.:
469.56

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4866210

Name:
3-(2-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin
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Mol. Formula:
C26H25N5O

M.W.:
423.52

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4865324

Name:
3-(5-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin
Show More⌵

Mol. Formula:
C29H31N5O

M.W.:
465.60

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
68.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4864918

Name:
3-(4-(4-(4-(4-oxofuro[3,2-c]pyridin-5(4H)-yl)pheny
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Mol. Formula:
C30H29N5O2

M.W.:
491.60

16 activity values

6 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
81.20

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1078098

Name:
1-(4-Methylsulfanyl-phenyl)-propylamine

Cas Number:
1204749-80-3

Mol. Formula:
C10H15NS

M.W.:
181.30

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
26.02

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA1078183

Name:
2-N-hydroxy-N-methylamino-1-(4-methylthiophenyl)bu
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Mol. Formula:
C13H21NOS

M.W.:
239.38

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
12.47

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1078920

Name:
2-N-Hydroxyamino-1-(4-methylthiophenyl)butane

Mol. Formula:
C11H17NOS

M.W.:
211.33

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
32.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1077901

Name:
2-N-(2-Methoxyethyl)amino-1-(4-methylthiophenyl)bu
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Mol. Formula:
C14H23NOS

M.W.:
253.41

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
21.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1077900

Name:
2-N-Propargylamino-1-(4-methylthiophenyl)butane

Mol. Formula:
C14H19NS

M.W.:
233.38

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
12.03

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1078818

Name:
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane

Mol. Formula:
C14H21NS

M.W.:
235.40

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
12.03

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1077899

Name:
2-N-(Isopropyl)amino-1-(4-methylthiophenyl)butane

Mol. Formula:
C14H23NS

M.W.:
237.41