Compounds

ALA3291213

Name:
6-O-[18F]-fluoroethyl-phenethyl-orvinol

Mol. Formula:
C31H36FNO4

M.W.:
504.63

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3291212

Name:
6-O-[18F]fluoroethyl-buprenorphine

Mol. Formula:
C30H42FNO4

M.W.:
498.67

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3291211

Name:
6-O-[18F]fluoroethyl-diprenorphine

Mol. Formula:
C27H36FNO4

M.W.:
456.59

17 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3092563

Name:
[18F]-4-((1-(2-chloro-6-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxShow More⌵

Mol. Formula:
C21H19ClFN5O

M.W.:
410.87

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
55.55

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2425785

Name:
(1R,2S)-2-(((2-Methyl-4-methoxymethylpyrimidin-5-yl)oxy)-methyl)-N-(5-fluorShow More⌵

Mol. Formula:
C23H22F2N4O3

M.W.:
440.45

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
86.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2425484

Name:
N-(4-Chloro-3-[11C]methoxyphenyl)-2-picolinamide

Mol. Formula:
C13H11ClN2O2

M.W.:
261.70

27 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA2413450

Name:
[11C]-1-[2-(4-Methoxyphenyl)phenyl]piperazine

Mol. Formula:
C17H20N2O

M.W.:
267.36

19 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA2206454

Name:
[11C]-8-Chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluoro-6-methoxyphenyl)-1-Show More⌵

Mol. Formula:
C22H23ClF2N4O

M.W.:
431.90

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2206453

Name:
[11C]-8-Chloro-3-(cyclopropylmethyl)-7-[4-(2,3-difluoro-6-methoxyphenyl)-1-Show More⌵

Mol. Formula:
C22H23ClF2N4O

M.W.:
431.90

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2206450

Name:
[11C]-8-Chloro-3-(cyclopropylmethyl)-7-[4-(5-fluoro-2-methoxyphenyl)-1-pipeShow More⌵

Mol. Formula:
C22H24ClFN4O

M.W.:
413.91

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
42.66

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2057673

Name:
[11C]-(R,S)-N-(1-(3-chloro-4-methoxyphenyl)ethyl)-3,3-diphenylpropan-1-aminShow More⌵

Mol. Formula:
C24H26ClNO

M.W.:
378.93

46 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2057672

Name:
[11C]-9-amino-2-cyclobutyl-5-(2-methoxypyridin-3-yl)-2,3-dihydro-1H-pyrroloShow More⌵

Mol. Formula:
C21H20N4O2

M.W.:
359.42

53 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
81.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1775002

Name:
[123I]4-Iodo-N-(2-(4-(2-hydroxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-ylShow More⌵

Mol. Formula:
C26H27IN4O2

M.W.:
550.43

40 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
59.91

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1684440

Name:
2-((4-(1-[11C]Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)-quinoShow More⌵

Mol. Formula:
C25H20N4O

M.W.:
391.46

63 activity values

13 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
52.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA457625

Name:
(2R)-1-([18F]1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol

Mol. Formula:
C13H20FNO2

M.W.:
240.31

49 activity values

12 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA393600

Name:
2beta-carbo-2'-[18F]fluoroethoxy-3beta-(4-bromo-phenyl)tropane

Mol. Formula:
C17H21BrFNO2

M.W.:
369.26

141 activity values

20 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA436877

Name:
2-beta-carbo(2-fluoroethoxy)-3-beta-(4'-((Z)-2-[123I]iodoethenyl)-phenyl)noShow More⌵

Mol. Formula:
C18H21FINO2

M.W.:
425.27

68 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS