Compounds

ALA3799784

Name:
(S)-2-(5-chloro-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-2-oxoShow More⌵

Mol. Formula:
C23H23ClF2N6O4

M.W.:
520.92

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
120.26

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3799870

Name:
(S)-2-(5-chloro-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-2-oxoShow More⌵

Mol. Formula:
C24H24ClF2N5O4

M.W.:
519.94

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3799211

Name:
(S)-5-chloro-1-(1-cyclopropyl-2-(pyridin-3-yloxy)ethyl)-3-(6-methoxy-2,5-diShow More⌵

Mol. Formula:
C22H24ClN5O3

M.W.:
441.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3797955

Name:
(S)-6-(2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazinShow More⌵

Mol. Formula:
C23H23ClN6O3

M.W.:
466.93

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
114.95

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3799801

Name:
(S)-2-(2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazinShow More⌵

Mol. Formula:
C23H23ClN6O3

M.W.:
466.93

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
114.95

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3798004

Name:
(S)-5-chloro-1-(1-cyclopropyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)ethyl)-Show More⌵

Mol. Formula:
C23H23ClF3N5O3

M.W.:
509.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3800497

Name:
(S)-1-(2-(4-bromopyridin-2-yloxy)-1-cyclopropylethyl)-5-chloro-3-(6-methoxyShow More⌵

Mol. Formula:
C22H23BrClN5O3

M.W.:
520.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3797830

Name:
(S)-5-chloro-1-(1-cyclopropyl-2-(pyridin-2-yloxy)ethyl)-3-(6-methoxy-2,5-diShow More⌵

Mol. Formula:
C22H24ClN5O3

M.W.:
441.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3799560

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C22H30ClN5O4

M.W.:
463.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3800523

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C21H28ClN5O4

M.W.:
449.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3800035

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C20H26ClN5O4

M.W.:
435.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3798497

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C25H29ClN6O5

M.W.:
529.00

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
129.49

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3799417

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C23H25ClN6O4

M.W.:
484.94

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
120.26

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3799337

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C25H25ClN6O4

M.W.:
508.97

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
131.16

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3799825

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C24H24Cl3N5O4

M.W.:
552.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3800413

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C24H24Cl3N5O4

M.W.:
552.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3799036

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C24H25Cl2N5O4

M.W.:
518.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3797992

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C24H25Cl2N5O4

M.W.:
518.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3798885

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C24H26ClN5O4

M.W.:
483.96

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
107.37

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3797551

Name:
(S)-2-(5-chloro-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-2-oxopyrazin-1(Show More⌵

Mol. Formula:
C23H24ClN5O4

M.W.:
469.93

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
108.23

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS