Compounds

ALA2178721

Name:
ammonium((2R,3S,4R,5R)-5-(6-amino-1-oxido-2-oxopyrimidin-3(2H)-yl)-3,4-dihyShow More⌵

Mol. Formula:
C9H20N5O9P

M.W.:
373.26

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.21

Polar Surface Area:
191.41

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1765126

Name:
ammonium 6-Azido-2'-deoxy-2'-fluoro-beta-D-uridine 5'-O-Monophosphate

Mol. Formula:
C9H18N7O8P

M.W.:
383.26

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.72

Polar Surface Area:
210.84

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1765125

Name:
((2S,3S,4R,5R)-5-(5-azido-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihyShow More⌵

Mol. Formula:
C9H12N5O8P

M.W.:
349.20

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.72

Polar Surface Area:
210.84

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1765124

Name:
ammonium 6-Cyano-2'-deoxy-2'-fluoro-beta-D-uridine 5'-O-Monophosphate

Mol. Formula:
C10H17FN5O7P

M.W.:
369.25

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.82

Polar Surface Area:
165.64

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1765123

Name:
ammonium 2'-Deoxy-2'-fluoro-6-iodo-beta-D-uridine 5'-O-Monophosphate

Mol. Formula:
C9H17FIN4O7P

M.W.:
470.13

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.08

Polar Surface Area:
141.85

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1765122

Name:
ammonium 5-Cyano-2'-deoxy-2'-fluoro-beta-D-uridine 5'-O-Monophosphate

Mol. Formula:
C10H17FN5O7P

M.W.:
369.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.82

Polar Surface Area:
165.64

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1765121

Name:
Ammonium 6-Amido-2'-deoxy-2'-fluoro-beta-D-uridine 5'-O-Monophosphate

Mol. Formula:
C10H19FN5O8P

M.W.:
387.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-2.59

Polar Surface Area:
184.94

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1164954

Name:
5-bromo-6-((tert-butyldimethylsilyloxy)methyl)-2,2-dimethyltetrahydrofuro[3Show More⌵

Mol. Formula:
C18H29BrN2O6Si

M.W.:
477.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1164953

Name:
4-Hydroxy-5-(5-O-monophosphoryl-beta-D-ribofuranos-1-yl)-1H-pyrazole-3-carbShow More⌵

Mol. Formula:
C9H14N3O9P

M.W.:
339.20

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
-2.51

Polar Surface Area:
208.45

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA514166

Name:
5-fluoro-6-azido-UMP

Mol. Formula:
C9H11FN5O9P

M.W.:
383.19

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.65

Polar Surface Area:
220.07

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA514137

Name:
6-amino-uridine monophosphate

Mol. Formula:
C9H14N3O9P

M.W.:
339.20

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.15

Polar Surface Area:
197.33

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA512577

Name:
6-cyano-uridine monophosphate

Mol. Formula:
C10H12N3O9P

M.W.:
349.19

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
-2.86

Polar Surface Area:
195.10

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA376454

Name:
6-iodouridine 5'-monophosphate

Mol. Formula:
C9H12IN2O9P

M.W.:
450.08

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.13

Polar Surface Area:
171.31

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.20

DETAILS