Compounds

ALA3694009

Name:
US8629158, 30

Mol. Formula:
C27H25N3O3

M.W.:
439.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
67.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3694008

Name:
US8629158, 29

Mol. Formula:
C27H25FN4O3

M.W.:
472.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
69.36

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3694007

Name:
US8629158, 28

Mol. Formula:
C29H31N3O2

M.W.:
453.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
39.40

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3694006

Name:
US8629158, 27

Mol. Formula:
C28H27N3O3

M.W.:
453.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
56.47

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3694005

Name:
US8629158, 26

Mol. Formula:
C27H27N3O2

M.W.:
425.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
39.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3694004

Name:
US8629158, 23

Mol. Formula:
C25H24N4O2

M.W.:
412.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
61.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3694003

Name:
US8629158, 22

Mol. Formula:
C24H22N4O2

M.W.:
398.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
71.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3693996

Name:
US8629158, 10

Mol. Formula:
C24H19F3N4O

M.W.:
436.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
62.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3693995

Name:
US8629158, 9

Mol. Formula:
C24H21FN4O2

M.W.:
416.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
71.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3693994

Name:
US8629158, 20::US8629158, 21::US8629158, 8

Mol. Formula:
C25H23N3O2

M.W.:
397.48

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
59.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3693993

Name:
US8629158, 7

Mol. Formula:
C24H20F3N5O

M.W.:
451.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3693992

Name:
US8629158, 24::US8629158, 25::US8629158, 6

Mol. Formula:
C25H23FN4O2

M.W.:
430.48

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
61.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3693991

Name:
US8629158, 16::US8629158, 4

Mol. Formula:
C25H21F3N4O

M.W.:
450.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
51.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3693990

Name:
US8629158, 3

Mol. Formula:
C24H20F3N5O

M.W.:
451.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
64.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3693989

Name:
US8629158, 2

Mol. Formula:
C26H25N3O2

M.W.:
411.51

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
48.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3686861

Name:
US8933079, 7.4

Mol. Formula:
C25H28ClN5O3

M.W.:
481.98

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
80.56

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3686860

Name:
US8933079, 11.4

Mol. Formula:
C24H27N3O4

M.W.:
421.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
82.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3686859

Name:
US8933079, 11.3

Mol. Formula:
C26H29N3O4

M.W.:
447.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
73.66

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3686858

Name:
US8933079, 9.5

Mol. Formula:
C23H26N4O4

M.W.:
422.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
95.34

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3686857

Name:
US8933079, 9.4

Mol. Formula:
C22H24N4O4

M.W.:
408.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
95.34

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS