Compounds

Type:
Small molecule

AlogP:
-1.26

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

2′-Deoxy-5-propargyloxyuridine

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-prop-2-ynyloxy-1H-pyrShow More⌵

Mol. Formula:
C12H14N2O6

M.W.:
282.25

17 activity values

6 unique targets

Type:
Small molecule

AlogP:
-1.81

Polar Surface Area:
113.78

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3143042

Name:
[1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrShow More⌵

Mol. Formula:
C11H13N3O6

M.W.:
283.24

1 unique targets

Type:
Small molecule

AlogP:
-1.92

Polar Surface Area:
137.57

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA609644

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-prop-1-ynyl-1H-pyShow More⌵

Mol. Formula:
C12H14N2O6

M.W.:
282.25

Type:
Small molecule

AlogP:
-2.48

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA609350

Name:
5-But-1-ynyl-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrShow More⌵

Mol. Formula:
C13H16N2O6

M.W.:
296.28

Type:
Small molecule

AlogP:
-2.09

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA608475

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(3,3-dimethyl-butShow More⌵

Mol. Formula:
C15H20N2O6

M.W.:
324.33

Type:
Small molecule

AlogP:
-1.45

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA611297

Name:
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-ethynyl-1H-pyrimiShow More⌵

Mol. Formula:
C11H12N2O6

M.W.:
268.23

11 activity values

Type:
Small molecule

AlogP:
-2.87

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA223531

Name:
5-Hexyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2Show More⌵

Mol. Formula:
C15H24N2O5

M.W.:
312.37

78 activity values

65 unique targets

Type:
Small molecule

AlogP:
0.30

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA223262

Name:
5-hex-1-ynyl-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-Show More⌵

Mol. Formula:
C15H20N2O5

M.W.:
308.33

Type:
Small molecule

AlogP:
-0.28

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA373370

Name:
5-Hept-1-ynyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimiShow More⌵

Mol. Formula:
C16H22N2O5

M.W.:
322.36

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA222305

Name:
5-But-1-ynyl-4-hydroxy-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-Show More⌵

Mol. Formula:
C13H16N2O5

M.W.:
280.28

Type:
Small molecule

AlogP:
-1.06

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA223209

Name:
5-(3,3-Dimethyl-but-1-ynyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2Show More⌵

Mol. Formula:
C15H20N2O5

M.W.:
308.33

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA222650

Name:
5-((Z)-Hex-1-enyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pShow More⌵

Mol. Formula:
C15H22N2O5

M.W.:
310.35

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA222353

Name:
Toluene-4-sulfonic acid 4-[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-Show More⌵

Mol. Formula:
C20H22N2O8S

M.W.:
450.47

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
147.92

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

5-Ethynyl-2'-deoxyuridine (EdU)

Name:
5-Ethynyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidineShow More⌵

Mol. Formula:
C11H12N2O5

M.W.:
252.23

43 activity values

23 unique targets

Type:
Small molecule

AlogP:
-1.84

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA222961

Name:
4-Hydroxy-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-prop-1-ynylShow More⌵

Mol. Formula:
C12H14N2O5

M.W.:
266.25

Type:
Small molecule

AlogP:
-1.45

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA223015

Name:
1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(phenylethynyl)pyrimiShow More⌵

Mol. Formula:
C17H16N2O5

M.W.:
328.32

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA376267

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-pent-1-ynyl-1H-pyrimiShow More⌵

Mol. Formula:
C14H18N2O5

M.W.:
294.31

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.67

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA223522

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-(5-hydroxy-pent-1-ynyShow More⌵

Mol. Formula:
C14H18N2O6

M.W.:
310.31

Type:
Small molecule

AlogP:
-1.70

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA374665

Name:
5-(4-hydroxybut-1-ynyl)-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]Show More⌵

Mol. Formula:
C13H16N2O6

M.W.:
296.28

11 activity values