Compounds

ALA4648967

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3,5-di-tert-buty
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Mol. Formula:
C24H36N6O

M.W.:
424.59

17 activity values

9 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4644948

Name:
(S)-4-([1,1'-Biphenyl]-3-ylamino)-2-(3-aminopiperi
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Mol. Formula:
C22H24N6O

M.W.:
388.48

7 activity values

6 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4644912

Name:
rac-2-(3-Aminopiperidin-1-yl)-4-((3-(trifluorometh
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Mol. Formula:
C17H19F3N6O

M.W.:
380.37

7 activity values

6 unique targets

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4642539

Name:
2-((2-Aminoethyl)(methyl)amino)-4-((3-(trifluorome
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Mol. Formula:
C15H17F3N6O

M.W.:
354.34

7 activity values

6 unique targets

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4640950

Name:
(R)-2-(3-Aminopiperidin-1-yl)-4-((3-(trifluorometh
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Mol. Formula:
C17H19F3N6O

M.W.:
380.37

7 activity values

6 unique targets

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4640712

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3,5-bis(2-cyanop
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Mol. Formula:
C24H30N8O

M.W.:
446.56

87 activity values

20 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
157.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4640492

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3-(2-cyanopropan
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Mol. Formula:
C20H25N7O

M.W.:
379.47

7 activity values

6 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
133.95

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4640445

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3-(methylsulfony
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Mol. Formula:
C17H22N6O3S

M.W.:
390.47

7 activity values

6 unique targets

Type:
Unknown

AlogP:
0.65

Polar Surface Area:
144.30

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4639597

Name:
2-[(3S)-3-amino-1-piperidyl]-4-[3,5-bis(trifluorom
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Mol. Formula:
C18H18F6N6O

M.W.:
448.37

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4635883

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((2,6-diisopropylp
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Mol. Formula:
C21H31N7O

M.W.:
397.53

1,117 activity values

33 unique targets

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
123.05

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4634851

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3,5-diisopropylp
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Mol. Formula:
C22H32N6O

M.W.:
396.54

8 activity values

6 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4633229

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((5-(2-cyanopropan
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Mol. Formula:
C26H29N7O

M.W.:
455.57

7 activity values

5 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
133.95

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4632887

Name:
2-(Methyl(2-(methylamino)ethyl)amino)-4-((3-(trifl
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Mol. Formula:
C16H19F3N6O

M.W.:
368.36

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
96.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4632574

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3-(tert-butyl)ph
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Mol. Formula:
C20H28N6O

M.W.:
368.49

7 activity values

6 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
110.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4632457

Name:
(S)-2-(3-Aminopiperidin-1-yl)-4-((3-(tert-butyl)-5
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Mol. Formula:
C21H30N6O3S

M.W.:
446.58

8 activity values

6 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
144.30

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS