Compounds

4 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
78.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4857177

Name:
3-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetShow More⌵

Mol. Formula:
C36H33N3O7

M.W.:
619.67

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
113.30

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4648722

Name:
methyl (2S)-2-[[[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methylShow More⌵

Mol. Formula:
C21H27N6O7PS

M.W.:
538.52

15 activity values

9 unique targets

Type:
Unknown

AlogP:
1.49

Polar Surface Area:
183.94

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4643305

Name:
methyl (2S)-2-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyShow More⌵

Mol. Formula:
C21H28N7O7P

M.W.:
521.47

17 activity values

9 unique targets

Type:
Unknown

AlogP:
0.35

Polar Surface Area:
195.97

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4217719

Name:
5-(4-Phenyl-1,2,3-triazol-1-yl)-2'-deoxyuridine

Mol. Formula:
C17H17N5O5

M.W.:
371.35

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
135.26

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4216314

Name:
5-[4-(Perylen-2-yl)-1,2,3-triazol-1-yl]uridine

Mol. Formula:
C31H23N5O6

M.W.:
561.55

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
155.49

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4215711

Name:
2-[4-(Perylen-3-yl)-1H-1,2,3-triazol-1-yl]ethanol

Mol. Formula:
C24H17N3O

M.W.:
363.42

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4212406

Name:
5-[4-(Perylen-2-yl)-1,2,3-triazol-1-yl]-2'-deoxyuridine

Mol. Formula:
C31H23N5O5

M.W.:
545.56

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
135.26

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4211910

Name:
2-[4-(Perylen-2-yl)-1H-1,2,3-triazol-1-yl]ethanol

Mol. Formula:
C24H17N3O

M.W.:
363.42

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4208802

Name:
5-[4-(Perylen-3-yl)-1,2,3-triazol-1-yl]uridine

Mol. Formula:
C31H23N5O6

M.W.:
561.55

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
155.49

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4206001

Name:
5-(4-Phenyl-1,2,3-triazol-1-yl)uridine

Mol. Formula:
C17H17N5O6

M.W.:
387.35

Type:
Small molecule

AlogP:
-1.60

Polar Surface Area:
155.49

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4205086

Name:
5-[4-(Perylen-3-yl)-1,2,3-triazol-1-yl]-2'-deoxyuridine

Mol. Formula:
C31H23N5O5

M.W.:
545.56

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
135.26

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4174231

Name:
3'-O-[4-(3-hydroxypropyl)-1,2,3-triazol-1-ylmethyl]-5-(perylen-3-ylethynyl)Show More⌵

Mol. Formula:
C37H31N5O6

M.W.:
641.68

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
144.49

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4170811

Name:
3'-O-[4-hydroxymethyl-1,2,3-triazol-1-ylmethyl]-5-(perylen-3-ylethynyl)-2'-Show More⌵

Mol. Formula:
C35H27N5O6

M.W.:
613.63

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
144.49

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4169744

Name:
3'-O-[4-(4-hydroxybutyl)-1,2,3-triazol-1-ylmethyl]-5-(perylen-3-ylethynyl)-Show More⌵

Mol. Formula:
C38H33N5O6

M.W.:
655.71

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
144.49

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4166330

Name:
3'-O-[4-(2-hydroxyethyl)-1,2,3-triazol-1-ylmethyl]-5-(perylen-3-ylethynyl)-Show More⌵

Mol. Formula:
C36H29N5O6

M.W.:
627.66

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
144.49

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4105486

Name:
3'-C-Methyluridin

Mol. Formula:
C10H14N2O6

M.W.:
258.23

Type:
Small molecule

AlogP:
-2.46

Polar Surface Area:
124.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

N²-Isobutyrylguanosine Monohydrate

Name:
N2-Isobutyrylguanosine

Mol. Formula:
C14H19N5O6

M.W.:
353.34

Type:
Small molecule

AlogP:
-1.67

Polar Surface Area:
162.59

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4102485

Name:
N6-(9-Anthranylmethyl)adenosine

Mol. Formula:
C25H23N5O4

M.W.:
457.49

7 activity values

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
125.55

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4099247

Name:
N6-Neryladenosine

Mol. Formula:
C20H29N5O4

M.W.:
403.48