Compounds

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4879196

Name:
N-(2,2-Diphenylethyl)-1,5-dimethyl-N-(1-(methylcar
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Mol. Formula:
C28H31N3O3

M.W.:
457.57

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4878603

Name:
1,5-Dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-
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Mol. Formula:
C20H25N3O3

M.W.:
355.44

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4878540

Name:
N-(2,2-Dipheny)ethyl)-4-methoxy-3,5-dimethyl-N-(2-
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Mol. Formula:
C27H30N2O3

M.W.:
430.55

12 activity values

6 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4878445

Name:
N-(1-Cyanoethyl)-N-(2,2-diphenylethyl)-1,5-dimethy
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Mol. Formula:
C25H25N3O2

M.W.:
399.49

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
66.10

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4878419

Name:
(S)-N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-
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Mol. Formula:
C24H26N2O4

M.W.:
406.48

3 unique targets

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4878278

Name:
6-(3,5-Dimethylisoxazol-4-yl)-1-methyl-4-phenyl-3-
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Mol. Formula:
C29H25N5O2S

M.W.:
507.62

8 activity values

7 unique targets

Type:
Unknown

AlogP:
6.64

Polar Surface Area:
75.36

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4878167

Name:
(S)-N7-methyl-N5-((1S,2S)-2-methylcyclopropyl)-3-p
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Mol. Formula:
C21H22N2O3

M.W.:
350.42

3 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4878095

Name:
N-(1,3-Dimethoxypropan-2-yl)-N-(2,2-diphenylethyl)
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Mol. Formula:
C27H32N2O4

M.W.:
448.56

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
60.77

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4877490

Name:
7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-1-((tetrah
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Mol. Formula:
C22H24N4O4

M.W.:
408.46

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
95.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4877326

Name:
N-(((1r,4r)-4-aminocyclohexyl)methyl)-3-ethyl-N-me
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Mol. Formula:
C15H24N6

M.W.:
288.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
72.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4877172

Name:
1,5-Dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-
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Mol. Formula:
C21H27N3O3

M.W.:
369.47

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4877162

Name:
6-(3,5-Dimethylisoxazol-4-yl)-1-methyl-4-phenyl-3-
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Mol. Formula:
C30H26N4O2S

M.W.:
506.63

8 activity values

7 unique targets

Type:
Unknown

AlogP:
7.24

Polar Surface Area:
62.47

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4877086

Name:
6-((S)-2-Hydroxy-1-phenylethyl)-N2-methyl-N4-((1S,
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Mol. Formula:
C20H23N3O3

M.W.:
353.42

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
91.32

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4876876

Name:
6-Benzyl-N2,N4,N4-trimethylpyridine-2,4-dicarboxam
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Mol. Formula:
C17H19N3O2

M.W.:
297.36

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4876836

Name:
N-(2,2-Diphenylethyl)-1,5-dimethyl-N-(1-(methylcar
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Mol. Formula:
C27H29N3O3

M.W.:
443.55

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4876748

Name:
N-(2,2-Diphenylethyl)-N-(1-(ethylamino)-1-oxopropa
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Mol. Formula:
C26H29N3O3

M.W.:
431.54

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4876648

Name:
N-(2,2-Diphenylethyl)-4,6-dimethyl-N-(1-(methylami
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Mol. Formula:
C25H28N4O3

M.W.:
432.52

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4876640

Name:
N-(1-Cyclopropyl-2-(methylamino)-2-oxoethyl)-N-(2,
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Mol. Formula:
C28H31N3O3

M.W.:
457.57

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
71.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4876311

Name:
6-Benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methy
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Mol. Formula:
C19H21N3O3

M.W.:
339.40