Compounds

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
50.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2377354

Name:
rac-N,N-diethyl-11-(2-fluoroethyl)-7-methoxy-6,11-dihydrothiochromeno[4,3-bShow More⌵

Mol. Formula:
C23H25FN2O2S

M.W.:
412.53

6 activity values

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2377333

Name:
rac-N,N-diethyl-11-(2-fluoroethyl)-3-hydroxy-6,11-dihydrothiochromeno[4,3-bShow More⌵

Mol. Formula:
C22H23FN2O2S

M.W.:
398.50

5 activity values

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2377327

Name:
rac-N,N-diethyl-5,10-dihydroindeno[1,2-b]indole-10-carboxamide

Mol. Formula:
C20H20N2O

M.W.:
304.39

5 activity values

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
36.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1817977

Name:
[11C]-N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

Mol. Formula:
C21H21ClN2O

M.W.:
351.87

17 activity values

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1807842

Name:
[11C]-1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]Show More⌵

Mol. Formula:
C23H24Cl2N2O3

M.W.:
446.36

4 activity values

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
43.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA576534

Name:
(20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-[11C]methoxy-alpha-17-dimethyl-Show More⌵

Mol. Formula:
C30H35NO4

M.W.:
472.61

23 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA559977

Name:
[C-11](1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-tolyl-8-azabicyclo[3.Show More⌵

Mol. Formula:
C20H24FNO2

M.W.:
328.42

58 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA477430

Name:
N-(5-fluoro-2-phenoxyphenyl)-N-(2-([18F]-2-fluoroethoxy)-5-methoxybenzyl)acShow More⌵

Mol. Formula:
C24H23F2NO4

M.W.:
426.45

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA516108

Name:
N-benzyl-2-(7-([18F]-2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yl)-N-metShow More⌵

Mol. Formula:
C23H22FN5O2

M.W.:
418.46

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
73.02

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA477849

Name:
N-benzyl-N-ethyl-2-(7-([18F]-2-fluoroethyl)-8-oxo-2-phenyl-7H-purin-9(8H)-yShow More⌵

Mol. Formula:
C24H24FN5O2

M.W.:
432.49