Compounds

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4789686

Name:
(5-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl)furan-2-cShow More⌵

Mol. Formula:
C20H22N4O7S

M.W.:
462.48

15 activity values

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
188.61

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4783397

Name:
(5-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl)thiopheneShow More⌵

Mol. Formula:
C20H22N4O6S2

M.W.:
478.55

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4761741

Name:
(5-(3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl)thiophenShow More⌵

Mol. Formula:
C19H20N4O6S2

M.W.:
464.53

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4759798

Name:
(4-(3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl)thiophenShow More⌵

Mol. Formula:
C19H20N4O6S2

M.W.:
464.53

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4755197

Name:
(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl)thiopheneShow More⌵

Mol. Formula:
C20H22N4O6S2

M.W.:
478.55

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4741259

Name:
(5-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl)thiopheneShow More⌵

Mol. Formula:
C20H22N4O6S2

M.W.:
478.55

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
175.47

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4562619

Name:
(S)-2-(3-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6Show More⌵

Mol. Formula:
C21H22N6O7

M.W.:
470.44

Type:
Unknown

AlogP:
0.15

Polar Surface Area:
211.57

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4557278

Name:
(5-(4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)-3-fShow More⌵

Mol. Formula:
C21H23FN6O6

M.W.:
474.45

25 activity values

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
204.15

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4553188

Name:
(4-{N-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)ethyl]Show More⌵

Mol. Formula:
C22H21F3N6O7

M.W.:
538.44

19 activity values

9 unique targets

Type:
Unknown

AlogP:
1.02

Polar Surface Area:
211.57

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4548681

Name:
(S)-2-(4-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6Show More⌵

Mol. Formula:
C20H22N6O8S

M.W.:
506.50

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
228.64

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4540298

Name:
(4-(4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl)-2-fShow More⌵

Mol. Formula:
C22H24FN5O6

M.W.:
473.46

25 activity values

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
191.26

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4538151

Name:
(4-(3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)-2-Show More⌵

Mol. Formula:
C21H22FN5O6

M.W.:
459.43

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
191.26

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4515056

Name:
(S)-2-(5-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6Show More⌵

Mol. Formula:
C19H20N6O7S

M.W.:
476.47

9 activity values

6 unique targets

Type:
Unknown

AlogP:
0.21

Polar Surface Area:
211.57

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4476555

Name:
(S)-2-(5-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6Show More⌵

Mol. Formula:
C19H20N6O7S

M.W.:
476.47

Type:
Unknown

AlogP:
0.21

Polar Surface Area:
211.57

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4465095

Name:
(S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyShow More⌵

Mol. Formula:
C20H22FN5O6S

M.W.:
479.49

34 activity values

9 unique targets

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
191.26

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4456590

Name:
(S)-2-(4-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6Show More⌵

Mol. Formula:
C19H20N6O7S

M.W.:
476.47

Type:
Unknown

AlogP:
0.21

Polar Surface Area:
211.57

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4447805

Name:
{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)ethoxy]beShow More⌵

Mol. Formula:
C20H21N5O7

M.W.:
443.42

20 activity values

9 unique targets

Type:
Unknown

AlogP:
0.50

Polar Surface Area:
200.49

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4445651

Name:
(4-(3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)-3-Show More⌵

Mol. Formula:
C19H20FN5O6S

M.W.:
465.46