Compounds

Type:
Unknown

AlogP:
-0.36

Polar Surface Area:
92.35

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4448347

Name:
3-(((3R,4S)-3-Hydroxy-4-((methylthio)methyl)pyrrol
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Mol. Formula:
C14H19N3O2S

M.W.:
293.39

Type:
Unknown

AlogP:
1.01

Polar Surface Area:
72.12

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2070408

Name:
(2S)-2-{[(1S)-1-{4-Amino-5H-pyrrolo[3,2-d]pyrimidi
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.11

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070407

Name:
(+/-)-7-({[(2S/R,3R/S)-2,3-Dihydroxy-4-(methylsulf
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Mol. Formula:
C13H21N5O2S

M.W.:
311.41

Type:
Small molecule

AlogP:
0.06

Polar Surface Area:
111.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2070406

Name:
(+/-)-(2R/S,3R/S)-2-{[({4-Amino-5H-pyrrolo[3,2-d]p
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Mol. Formula:
C14H23N5O2S

M.W.:
325.44

Type:
Small molecule

AlogP:
0.30

Polar Surface Area:
111.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2070405

Name:
(+/-)-(2R,3S)-4-(((4-amino-5H-pyrrolo[3,2-d]pyrimi
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Mol. Formula:
C14H23N5O2S

M.W.:
325.44

4 activity values

Type:
Small molecule

AlogP:
0.30

Polar Surface Area:
111.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2070404

Name:
(2R/S,3S/R)-4-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidi
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Mol. Formula:
C15H22F3N5O4S

M.W.:
425.43

Type:
Small molecule

AlogP:
-0.04

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2070403

Name:
7-({[(2S)-2-Hydroxy-3-(methylsulfanyl)propyl]amino
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Mol. Formula:
C11H17N5OS

M.W.:
267.36

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
99.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070402

Name:
2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methy
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070401

Name:
(2S,3S)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070400

Name:
(2R,3R)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070312

Name:
(2S,3R)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070311

Name:
(2R,3S)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-
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Mol. Formula:
C12H19N5O2S

M.W.:
297.38

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2070310

Name:
(+/-)-(2R/S)-3-[({4-Amino-5H-pyrrolo[3,2-d]pyrimid
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Mol. Formula:
C12H19N5OS

M.W.:
281.38

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
99.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2070309

Name:
(2S)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}
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Mol. Formula:
C11H17N5OS

M.W.:
267.36

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
99.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070308

Name:
(2R)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}
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Mol. Formula:
C11H17N5OS

M.W.:
267.36

5 activity values

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
99.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070307

Name:
(+/-)-(2R/S)-2-[({4-Amino-5H-pyrrolo[3,2-d]pyrimid
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Mol. Formula:
C11H17N5OS

M.W.:
267.36

4 activity values

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
99.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1161749

Name:
2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di
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Mol. Formula:
C12H17N5O2S

M.W.:
295.37

1 unique targets

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA554322

Name:
2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-meth
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Mol. Formula:
C12H18ClN5O2S

M.W.:
331.83

1 unique targets

Type:
Small molecule

AlogP:
-0.36

Polar Surface Area:
120.08

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA542697

Name:
2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(2-h
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Mol. Formula:
C13H20ClN5O3S

M.W.:
361.86