Compounds

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
101.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4878870

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-N-(5-(3-((2S,6R)-2,6-dimethylmorpholino)prop-Show More⌵

Mol. Formula:
C25H30N4O5S

M.W.:
498.61

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
102.88

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4878004

Name:
(S)-(3-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-ylamino)pyrrolidin-1-Show More⌵

Mol. Formula:
C21H27N9O2

M.W.:
437.51

19 activity values

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
114.19

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4877995

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-N-(5-(2-((dimethylamino)methyl)cyclopropyl)pyShow More⌵

Mol. Formula:
C22H28N4O4S

M.W.:
444.56

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
93.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4877831

Name:
1-((3S)-3-(8-(1-ethyl-2-methyl-1H-pyrrol-3-yl)-9-methyl-9H-purin-6-ylamino)Show More⌵

Mol. Formula:
C20H27N7O

M.W.:
381.48

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
80.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4876289

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methylpyridin-4-yl)pyridine-3-Show More⌵

Mol. Formula:
C17H19N3O4S

M.W.:
361.42

7 activity values

7 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
90.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4874957

Name:
(S)-cyclopropyl(3-(9-ethyl-8-(6-(trifluoromethyl)pyridin-3-yl)-9H-purin-6-yShow More⌵

Mol. Formula:
C21H21F3N6O2

M.W.:
446.43

10 activity values

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
86.03

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4873843

Name:
(S)-cyclobutyl(3-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yloxy)pyrroShow More⌵

Mol. Formula:
C21H25N7O2

M.W.:
407.48

15 activity values

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
98.92

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4873642

Name:
(S)-(3-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yloxy)pyrrolidin-1-ylShow More⌵

Mol. Formula:
C20H20N8O3

M.W.:
420.43

18 activity values

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
124.95

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4873390

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-N-(6'-((4-isopropylpiperazin-1-yl)methyl)-[3,Show More⌵

Mol. Formula:
C29H36N6O4S

M.W.:
564.71

10 activity values

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
109.78

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4873332

Name:
(S)-1-(3-(8-(6-methoxypyridin-3-yl)-9-methyl-9H-purin-6-ylamino)pyrrolidin-Show More⌵

Mol. Formula:
C19H23N7O2

M.W.:
381.44

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
98.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4872822

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-(3-(pyrrolidin-1-ylmethyl)phenShow More⌵

Mol. Formula:
C27H30N4O4S

M.W.:
506.63

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
93.65

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4872657

Name:
1-((3S)-3-(9-cyclopropyl-8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9H-purin-6-ylShow More⌵

Mol. Formula:
C21H28N8O

M.W.:
408.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
93.76

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4872328

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-N-(5-(3-(4-isopropylpiperazin-1-yl)prop-1-yn-Show More⌵

Mol. Formula:
C26H33N5O4S

M.W.:
511.65

21 activity values

11 unique targets

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
96.89

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4870970

Name:
N-(5-(2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)pyridin-3-yl)-2-methoxy-5-moShow More⌵

Mol. Formula:
C26H30FN5O4S

M.W.:
527.62

12 activity values

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
96.89

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870367

Name:
((S)-3-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yloxy)pyrrolidin-1-ylShow More⌵

Mol. Formula:
C22H27N7O3

M.W.:
437.50

19 activity values

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
108.15

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4870356

Name:
N-(5-(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)pyridin-3-yl)-2-methoxy-5-moShow More⌵

Mol. Formula:
C26H30FN5O4S

M.W.:
527.62

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
96.89

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870020

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-(5-(piperidin-1-ylmethyl)thiopShow More⌵

Mol. Formula:
C26H30N4O4S2

M.W.:
526.68

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
93.65

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4869910

Name:
(S)-(3-(9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-ylamino)pyrrolidin-1-Show More⌵

Mol. Formula:
C20H21N9O2

M.W.:
419.45

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
127.75

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4869783

Name:
5-(3,6-Dihydro-2H-pyran-4-yl)-N-(5-(4-(((2S,6R)-2,6-dimethylmorpholino)methShow More⌵

Mol. Formula:
C29H34N4O5S

M.W.:
550.68

10 activity values