Compounds

ALA3676991

Name:
US8921410, Table 2 Compound 36

Mol. Formula:
C11H15N3O2

M.W.:
221.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3676990

Name:
US8921410, Table 2 Compound 35

Mol. Formula:
C12H17N3O2

M.W.:
235.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3676987

Name:
US8921410, Table 2 Compound 31

Mol. Formula:
C13H17FN2O2

M.W.:
252.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3676984

Name:
US8921410, Table 2 Compound 27

Mol. Formula:
C11H15N3O2

M.W.:
221.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3676983

Name:
US8921410, Table 2 Compound 26

Mol. Formula:
C13H18N2O3

M.W.:
250.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
54.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3676981

Name:
US8921410, Table 2 Compound 24

Mol. Formula:
C11H15N3O2

M.W.:
221.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3676973

Name:
US8921410, Table 2 Compound 11

Mol. Formula:
C12H17N3O2

M.W.:
235.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3676972

Name:
US8921410, Table 2 Compound 10

Mol. Formula:
C12H17N3O2

M.W.:
235.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3676969

Name:
US8921410, Table 2 Compound 7

Mol. Formula:
C12H17N3O3

M.W.:
251.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3676968

Name:
US8921410, Table 1 Compound 42

Mol. Formula:
C12H14F2N2O2

M.W.:
256.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA3676967

Name:
US8921410, Table 1 Compound 41

Mol. Formula:
C12H15FN2O2

M.W.:
238.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA3676966

Name:
US8921410, Table 1 Compound 40

Mol. Formula:
C12H13N3O2

M.W.:
231.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
49.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA3676963

Name:
US8921410, Table 1 Compound 35

Mol. Formula:
C12H13N3O2

M.W.:
231.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
49.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA3676960

Name:
US8921410, Table 1 Compound 29

Mol. Formula:
C13H16N2O2

M.W.:
232.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA3676958

Name:
US8921410, Table 1 Compound 27

Mol. Formula:
C11H15N3O2

M.W.:
221.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
71.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3676955

Name:
US8921410, Table 1 Compound 24

Mol. Formula:
C12H16N2O3

M.W.:
236.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
54.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3676953

Name:
US8921410, Table 1 Compound 22

Mol. Formula:
C12H16N2O2

M.W.:
220.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.88

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA3676949

Name:
US8921410, Table 1 Compound 17

Mol. Formula:
C15H16N2O3

M.W.:
272.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
58.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3676945

Name:
US8921410, Table 1 Compound 12

Mol. Formula:
C10H12BrN3O2

M.W.:
286.13

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3676944

Name:
US8921410, Table 1 Compound 10

Mol. Formula:
C19H18N2O2

M.W.:
306.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS