Compounds

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
110.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4876894

Name:
methyl (R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-diShow More⌵

Mol. Formula:
C22H25FN4O4

M.W.:
428.46

Type:
Unknown

AlogP:
0.93

Polar Surface Area:
99.56

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4875769

Name:
(R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyShow More⌵

Mol. Formula:
C21H23BrN4O4

M.W.:
475.34

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
110.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4873862

Name:
(R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyShow More⌵

Mol. Formula:
C21H23BrN4O4

M.W.:
475.34

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
110.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4871141

Name:
methyl (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-diShow More⌵

Mol. Formula:
C22H25FN4O4

M.W.:
428.46

Type:
Unknown

AlogP:
0.93

Polar Surface Area:
99.56

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4863369

Name:
methyl (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-diShow More⌵

Mol. Formula:
C22H25BrN4O4

M.W.:
489.37

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
99.56

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4860737

Name:
(R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyShow More⌵

Mol. Formula:
C21H23BrN4O4

M.W.:
475.34

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
110.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4857729

Name:
(R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-dihydropyShow More⌵

Mol. Formula:
C21H23FN4O4

M.W.:
414.44

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
110.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4856255

Name:
methyl (R)-5-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-diShow More⌵

Mol. Formula:
C22H25BrN4O4

M.W.:
489.37

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
99.56

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4852700

Name:
methyl (R)-3-((4-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-2,6-dioxo-3,6-diShow More⌵

Mol. Formula:
C22H25BrN4O4

M.W.:
489.37

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
99.56

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3813856

Name:
(R)-2-((2-(3-aminopiperidin-1-yl)-5-ethyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-iShow More⌵

Mol. Formula:
C22H23FN8O2

M.W.:
450.48

5 activity values

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
126.07

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3687983

Name:
US9051329, Example 8

Mol. Formula:
C22H23F4N7O2

M.W.:
493.47

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
102.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3687982

Name:
US9051329, Example 7

Mol. Formula:
C21H23F2N7O2

M.W.:
443.46

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
102.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3687980

Name:
US9051329, Example 5

Mol. Formula:
C17H21N7O2

M.W.:
355.40

Type:
Small molecule

AlogP:
-0.48

Polar Surface Area:
102.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3687979

Name:
US9051329, Example 3

Mol. Formula:
C20H21F2N7O2

M.W.:
429.43

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
102.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3687977

Name:
US9051329, Example 1::US9051329, Example 4

Mol. Formula:
C21H21F4N7O2

M.W.:
479.44

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
102.28

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3644783

Name:
US8470836, 2

Mol. Formula:
C18H19F8N5O3

M.W.:
505.37

4 activity values

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
112.65

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3127979

Name:
(2S)-1-[(2S)-2-amino-3-(Furan-3-yl)propanoyl]pyrrolidine-2-carbonitrile

Mol. Formula:
C12H15N3O2

M.W.:
233.27

5 activity values

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
83.26

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2425894

Name:
(R)-6-(3-Aminopiperidin-1-yl)-1-(but-2-yn-1-yl)-3-((7-fluoroquinolin-2-yl)mShow More⌵

Mol. Formula:
C23H24FN5O2

M.W.:
421.48

4 activity values

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
86.15

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2425892

Name:
(R)-6-(3-Aminopiperidin-1-yl)-1-(but-2-yn-1-yl)-3-((6-methoxyquinolin-2-yl)Show More⌵

Mol. Formula:
C24H27N5O3

M.W.:
433.51

4 activity values