Compounds

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
99.60

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3143492

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-dihydro-pyrimiShow More⌵

Mol. Formula:
C10H16N2O5

M.W.:
244.25

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
99.10

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3143491

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

Mol. Formula:
C9H13N3O5

M.W.:
243.22

7 activity values

Type:
Small molecule

AlogP:
-2.24

Polar Surface Area:
130.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3143490

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-3-pentyl-1H-pyShow More⌵

Mol. Formula:
C15H24N2O5

M.W.:
312.37

9 activity values

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
93.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3143489

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

Mol. Formula:
C11H17N3O4

M.W.:
255.27

6 activity values

Type:
Small molecule

AlogP:
-0.68

Polar Surface Area:
96.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3143488

Name:
Propionic acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydShow More⌵

Mol. Formula:
C12H17N3O5

M.W.:
283.28

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
116.67

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3143487

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

Mol. Formula:
C11H15N3O6

M.W.:
285.26

7 activity values

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
133.65

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3143486

Name:
1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidinShow More⌵

Mol. Formula:
C17H20N2O5

M.W.:
332.36

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
93.55

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3143485

Name:
3-Benzyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyShow More⌵

Mol. Formula:
C17H20N2O5

M.W.:
332.36

Type:
Small molecule

AlogP:
0.01

Polar Surface Area:
93.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2111285

Name:
5-Bromo-6-ethoxy-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methShow More⌵

Mol. Formula:
C12H19BrN2O6

M.W.:
367.20

19 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.48

Polar Surface Area:
108.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1790059

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

Mol. Formula:
C10H15N3O5

M.W.:
257.25

10 activity values

6 unique targets

Type:
Small molecule

AlogP:
-2.36

Polar Surface Area:
130.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA448128

Name:
1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1H-pyrimidine-Show More⌵

Mol. Formula:
C10H14N2O5

M.W.:
242.23

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.81

Polar Surface Area:
93.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA373855

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

Mol. Formula:
C10H14N2O5S

M.W.:
274.30

6 activity values

Type:
Small molecule

AlogP:
-1.10

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA349797

Name:
1-[4-Hydroxy-5-(2-hydroxy-ethylsulfanylmethyl)-tetrahydro-furan-2-yl]-5-metShow More⌵

Mol. Formula:
C12H18N2O5S

M.W.:
302.35

4 activity values

Type:
Small molecule

AlogP:
-0.78

Polar Surface Area:
104.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA156593

Name:
3-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydrShow More⌵

Mol. Formula:
C13H18N2O6S

M.W.:
330.36

Type:
Small molecule

AlogP:
-0.30

Polar Surface Area:
121.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA159126

Name:
4-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydrShow More⌵

Mol. Formula:
C14H20N2O6S

M.W.:
344.39

4 activity values

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
121.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA345155

Name:
N-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydrShow More⌵

Mol. Formula:
C12H17N3O5

M.W.:
283.28

Type:
Small molecule

AlogP:
-1.37

Polar Surface Area:
113.42

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA155988

Name:
1-(5-Butylaminomethyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidiShow More⌵

Mol. Formula:
C14H23N3O4

M.W.:
297.36

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
96.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA155905

Name:
1-(5-Ethylsulfanylmethyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimShow More⌵

Mol. Formula:
C12H18N2O4S

M.W.:
286.35

Type:
Small molecule

AlogP:
0.25

Polar Surface Area:
84.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA160534

Name:
1-(5-Ethanesulfinylmethyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyriShow More⌵

Mol. Formula:
C12H18N2O5S

M.W.:
302.35