Compounds

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
81.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4115403

Name:
US9475819, 181

Mol. Formula:
C20H18F3N7O

M.W.:
429.41

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
88.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4114978

Name:
US9475819, 10A

Mol. Formula:
C22H22FN5O2

M.W.:
407.45

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
73.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4114453

Name:
US9475819, 5B

Mol. Formula:
C21H22N6O2

M.W.:
390.45

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4113266

Name:
US9475819, 279

Mol. Formula:
C23H19F4N5O

M.W.:
457.43

12 activity values

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4112968

Name:
US9475819, 8B

Mol. Formula:
C21H21FN6O2

M.W.:
408.44

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4111383

Name:
US9475819, 3A

Mol. Formula:
C23H23N5O2

M.W.:
401.47

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
81.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4107773

Name:
US9475819, 3B

Mol. Formula:
C23H23N5O2

M.W.:
401.47

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
81.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3977337

Name:
US9475819, 164

Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
64.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3962823

Name:
US9475819, 114

Mol. Formula:
C22H22FN5O3

M.W.:
423.45

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
82.37

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3961871

Name:
US9475819, 8A

Mol. Formula:
C21H21FN6O2

M.W.:
408.44

11 activity values

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3931862

Name:
US9475819, 86

Mol. Formula:
C24H30N4O2

M.W.:
406.53

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3922456

Name:
US9475819, 78

Mol. Formula:
C23H24N4O2

M.W.:
388.47

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
60.25

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3919536

Name:
US9475819, 5A

Mol. Formula:
C21H22N6O2

M.W.:
390.45

11 activity values

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3914039

Name:
US9475819, 6

Mol. Formula:
C21H22N6O2

M.W.:
390.45

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3907862

Name:
US9475819, 10A

Mol. Formula:
C22H22FN5O2

M.W.:
407.45

8 activity values

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
73.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3905361

Name:
US9115117, 72::US9115117, 74

Mol. Formula:
C20H21F3N8O

M.W.:
446.44

6 activity values

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
101.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3902222

Name:
US9475819, 183b

Mol. Formula:
C20H18F3N7O

M.W.:
429.41

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
88.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3895542

Name:
US9475819, 286

Mol. Formula:
C22H17F4N5O2

M.W.:
459.40

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
81.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3890702

Name:
US9475819, 77

Mol. Formula:
C23H24N4O2

M.W.:
388.47