Compounds

Type:
Unknown

AlogP:
1.27

Polar Surface Area:
77.76

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4534897

Name:
Dimethyl (E)-(7-Hydroxy-6-methylhept-5-en-1-yl)-ph
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Mol. Formula:
C10H21O4P

M.W.:
236.25

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4531623

Name:
(E)-(((7-Hydroxy-6-methylhept-5-en-1-yl)phosphoryl
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Mol. Formula:
C20H37O8P

M.W.:
436.48

8 activity values

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
108.36

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4745129

Name:
[[(E)-4-Methyl-5-oxopent-3-enyl]-(2-oxochromen-7-y
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Mol. Formula:
C21H25O8P

M.W.:
436.40

3 activity values

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
109.11

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4744593

Name:
[[(E)-5-Hydroxy-4-methylpent-3-enyl]-(2-oxochromen
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Mol. Formula:
C21H27O8P

M.W.:
438.41

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
112.27

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4743632

Name:
Methyl (((E)-5-hydroxy-4-methylpent-3-en-1-yl)(phe
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Mol. Formula:
C16H24NO5P

M.W.:
341.34

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4764764

Name:
Methyl (((E)-1,1-difluoro-5-hydroxy-4-methylpent-3
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Mol. Formula:
C16H22F2NO5P

M.W.:
377.32

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4780556

Name:
Isopropyl 2-[[[(E)-4-methyl-5-oxopent-3-enyl]pheno
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Mol. Formula:
C17H24NO5P

M.W.:
353.36

2 activity values

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4780307

Name:
Ethyl 2-(((4-methylpent-3-en-1-yl)(1-naphthyloxy)p
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Mol. Formula:
C20H26NO4P

M.W.:
375.41

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
64.63

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4793602

Name:
tert-Butyl (((E)-1,1-difluoro-5-hydroxy-4-methylpe
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Mol. Formula:
C19H28F2NO5P

M.W.:
419.41

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4792121

Name:
Benzyl (((E)-5-hydroxy-4-methylpent-3-en-1-yl)(phe
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Mol. Formula:
C22H28NO5P

M.W.:
417.44

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4790695

Name:
tert-Butyl (((E)-5-hydroxy-4-methylpent-3-en-1-yl)
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Mol. Formula:
C19H30NO5P

M.W.:
383.43

4 activity values

2 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4099094

Name:
sodium ((4-methylpent-3-enyl)oxidophosphoryl)methy
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Mol. Formula:
C7H13Na3O5P2

M.W.:
308.09

11 activity values

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
94.83

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4089656

Name:
sodium (E)-((5-hydroxy-4-methylpent-3-enyl)oxidoph
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Mol. Formula:
C7H13Na3O6P2

M.W.:
324.09

16 activity values

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
115.06

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4061531

Name:
(E)-(((((5-Hydroxy-4-methylpent-3-en-1-yl)-((pival
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Mol. Formula:
C25H46O12P2

M.W.:
600.58

15 activity values

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
160.96

HBA:
12

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4060737

Name:
5-hydroxy-4-methylpent-3-enylphosphonic acid

Mol. Formula:
C6H13O4P

M.W.:
180.14

13 activity values

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
77.76

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4746944

Name:
sodium 4-Methylpent-3-enyl phosphonic acid

Mol. Formula:
C6H11Na2O3P

M.W.:
208.10

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.49

DETAILS

ALA4746113

Name:
Isopropyl (((E)-5-hydroxy-4-methylpent-3-en-1-yl)(
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Mol. Formula:
C18H28NO5P

M.W.:
369.40

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4592130

Name:
(((6-Methylhept-5-en-1-yl)phosphoryl)bis(oxy))bis-
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Mol. Formula:
C20H37O7P

M.W.:
420.48

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
88.13

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4754419

Name:
Benzyl (((E)-1,1-difluoro-5-hydroxy-4-methylpent-3
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Mol. Formula:
C22H26F2NO5P

M.W.:
453.42

6 activity values