Compounds

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
221.92

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4094989

Name:
(Z)-7-((1R,2R,3R)-2-((S,E)-3-(2-(4,4-diphosphonobutylthio)acetoxy)oct-1-enyShow More⌵

Mol. Formula:
C26H44O12P2S

M.W.:
642.64

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
215.96

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2437388

Name:
[18F]-2-(3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-(2-fluoShow More⌵

Mol. Formula:
C25H31FN2O4

M.W.:
441.53

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2092899

Name:
[3H](4-(((4-(2-(((R,E)-4-((R)-1-(7-ethoxy-7-oxoheptyl)-5-oxopyrrolidin-2-ylShow More⌵

Mol. Formula:
C42H63F2N3O14P2

M.W.:
939.94

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
246.53

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2092898

Name:
[3H]-4-(((R,E)-4-((R)-1-(7-ethoxy-7-oxoheptyl)-5-oxopyrrolidin-2-yl)-1,1-diShow More⌵

Mol. Formula:
C28H42F2N2O12P2

M.W.:
704.61

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
220.23

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA1963170

Name:
4-((4-(2-((R,E)-4-((R)-1-(7-ethoxy-7-oxoheptyl)-5-oxopyrrolidin-2-yl)-1,1-dShow More⌵

Mol. Formula:
C36H48F2N2O14P2

M.W.:
832.72

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
246.53

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA1956374

Name:
ethyl 7-((R)-2-((R,E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl)-5-oxopyrroShow More⌵

Mol. Formula:
C23H31F2NO4

M.W.:
423.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

L902688

Name:
(R)-1-(6-(2H-tetrazol-5-yl)hexyl)-5-((R,E)-4,4-difluoro-3-hydroxy-4-phenylbShow More⌵

Mol. Formula:
C21H27F2N5O2

M.W.:
419.48

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
95.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1956372

Name:
7-((R)-2-((R,E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl)-5-oxopyrrolidin-Show More⌵

Mol. Formula:
C21H27F2NO4

M.W.:
395.45

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
77.84

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1077106

Name:
(S)-2-Amino-3-[18F]fluoro-2-methylpropanoic Acid Hydrochloride Salt

Mol. Formula:
C4H9ClFNO2

M.W.:
156.57

39 activity values

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1085425

Name:
(R)-2-Amino-3-[18F]fluoro-2-methylpropanoic Acid Hydrochloride Salt

Mol. Formula:
C4H9ClFNO2

M.W.:
156.57

39 activity values

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1076750

Name:
(S)-3-[18F]Fluoro-2-methyl-2-(methylamino)propanoic Acid Hydrochloride Salt

Mol. Formula:
C5H11ClFNO2

M.W.:
170.60

52 activity values

Type:
Small molecule

AlogP:
0.02

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA1076749

Name:
(R)-3-[18F]Fluoro-2-methyl-2-(methylamino)propanoic Acid Hydrochloride Salt

Mol. Formula:
C5H11ClFNO2

M.W.:
170.60

52 activity values