Compounds

ALA3144294

Name:
{5-[(2,4-dioxo-1,3-diazinan-1-yl)methyl]-3-hydroxyoxolan-2-yl}methyl N-sulfShow More⌵

Mol. Formula:
C10H14N4O8S

M.W.:
350.31

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
-2.89

Polar Surface Area:
182.81

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3143785

Name:
1-(4-Hydroxy-5-triisopropylsilanyloxymethyl-tetrahydro-furan-2-yl)-1H-pyrimShow More⌵

Mol. Formula:
C18H32N2O5Si

M.W.:
384.55

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143784

Name:
Sulfamic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahyShow More⌵

Mol. Formula:
C9H13N3O7S

M.W.:
307.28

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
-2.59

Polar Surface Area:
153.71

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3143783

Name:
Toluene-4-sulfonic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroShow More⌵

Mol. Formula:
C16H18N2O7S

M.W.:
382.39

Type:
Small molecule

AlogP:
-0.10

Polar Surface Area:
127.69

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3143782

Name:
1-[4-(tert-Butyl-dimethyl-silanyloxy)-5-trityloxymethyl-tetrahydro-furan-2-Show More⌵

Mol. Formula:
C34H40N2O5Si

M.W.:
584.79

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143781

Name:
1-[4-(tert-Butyl-dimethyl-silanyloxy)-5-hydroxymethyl-tetrahydro-furan-2-ylShow More⌵

Mol. Formula:
C15H26N2O5Si

M.W.:
342.47

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143780

Name:
Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydShow More⌵

Mol. Formula:
C16H16N2O6

M.W.:
332.31

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
0.04

Polar Surface Area:
110.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3143779

Name:
Pentanoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahShow More⌵

Mol. Formula:
C14H20N2O6

M.W.:
312.32

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
110.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3143778

Name:
Acetic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydrShow More⌵

Mol. Formula:
C11H14N2O6

M.W.:
270.24

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
-1.25

Polar Surface Area:
110.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3143777

Name:
(Diethoxy-phosphoryl)-acetic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yShow More⌵

Mol. Formula:
C15H23N2O9P

M.W.:
406.33

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
-0.01

Polar Surface Area:
146.15

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3143776

Name:
Phosphoric acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetraShow More⌵

Mol. Formula:
C13H21N2O8P

M.W.:
364.29

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
129.08

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3143775

Name:
Phosphoric acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetraShow More⌵

Mol. Formula:
C21H21N2O8P

M.W.:
460.38

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
129.08

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3143774

Name:
Sulfamic acid 3-(tert-butyl-dimethyl-silanyloxy)-5-(2,4-dioxo-3,4-dihydro-2Show More⌵

Mol. Formula:
C15H27N3O7SSi

M.W.:
421.55

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143773

Name:
{3-[(tert-butyldimethylsilyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-Show More⌵

Mol. Formula:
C16H28N4O8SSi

M.W.:
464.57

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143772

Name:
(Diethoxy-phosphoryl)-acetic acid 3-(tert-butyl-dimethyl-silanyloxy)-5-(2,4Show More⌵

Mol. Formula:
C21H37N2O9PSi

M.W.:
520.59

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143771

Name:
Phosphoric acid 3-(tert-butyl-dimethyl-silanyloxy)-5-(2,4-dioxo-3,4-dihydroShow More⌵

Mol. Formula:
C19H35N2O8PSi

M.W.:
478.56

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143770

Name:
Phosphoric acid 3-(tert-butyl-dimethyl-silanyloxy)-5-(2,4-dioxo-3,4-dihydroShow More⌵

Mol. Formula:
C27H35N2O8PSi

M.W.:
574.64

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA513890

Name:
1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-ylShow More⌵

Mol. Formula:
C25H30N2O5Si

M.W.:
466.61

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA441534

Name:
1-(3-tert-butyldimethylsilyloxypropyl)uracil

Mol. Formula:
C13H24N2O3Si

M.W.:
284.43

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA378229

Name:
1-(3-trityloxypropyl)uracil

Mol. Formula:
C26H24N2O3

M.W.:
412.49

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
64.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS