Compounds

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)(phenoxy)-phosphoryl)-L-alaniShow More⌵

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)(phenoxy)-phosphoryl)-L-aShow More⌵

Mol. Formula:
C19H30NO5P

M.W.:
383.43

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

ALA4780556

Name:
Isopropyl 2-[[[(E)-4-methyl-5-oxopent-3-enyl]phenoxyphosphoryl]amino]acetatShow More⌵

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)phosphoryl)amino)acetate

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

ALA4764764

Name:
Methyl (((E)-1,1-difluoro-5-hydroxy-4-methylpent-3-en-1-yl)-(phenoxy)phosphShow More⌵

Mol. Formula:
C16H22F2NO5P

M.W.:
377.32

2 activity values

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

ALA4754419

Name:
Benzyl (((E)-1,1-difluoro-5-hydroxy-4-methylpent-3-en-1-yl)-(phenoxy)phosphShow More⌵

Mol. Formula:
C22H26F2NO5P

M.W.:
453.42

6 activity values

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

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)(phenoxy)-phosphoryl)-L-alShow More⌵

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

ALA4745129

Name:
[[(E)-4-Methyl-5-oxopent-3-enyl]-(2-oxochromen-7-yl)oxyphosphoryl]oxymethylShow More⌵

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-7-yl)oxyphosphoryl]oxymeShow More⌵

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)(phenoxy)-phosphoryl)-L-alaniShow More⌵

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

ALA4592130

Name:
(((6-Methylhept-5-en-1-yl)phosphoryl)bis(oxy))bis-(methylene)bis(2,2-dimethShow More⌵

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

ALA4534897

Name:
Dimethyl (E)-(7-Hydroxy-6-methylhept-5-en-1-yl)-phosphonate

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)bis-(oxy))bis(methylene)Show More⌵

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

ALA4521062

Name:
Disodium (E)-(7-Hydroxy-6-methylhept-5-en-1-yl)-phosphonate

Mol. Formula:
C8H15Na2O4P

M.W.:
252.16

10 activity values

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

ALA4449920

Name:
(E)-4-hydroxy-3-methylbut-2-enyl diphosphate Trisodium

Mol. Formula:
C5H9Na3O8P2

M.W.:
328.04

Type:
Unknown

AlogP:
0.15

Polar Surface Area:
133.52

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

[(E)-4-Methyl-5-Oxidanyl-Pent-3-Enyl]-Phosphonooxy-Phosphinic Acid

Name:
5-hydroxy-4-methylpent-3-enylphosphonic phosphoric anhydride

Mol. Formula:
C6H14O7P2

M.W.:
260.12

Type:
Small molecule

AlogP:
0.61

Polar Surface Area:
124.29

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4216254

Name:
Methyl 2-[[[(E)-5-hydroxy-4-methyl-pent-3-enyl]-(1-naphthyloxy)phosphoryl]aShow More⌵

Mol. Formula:
C19H24NO5P

M.W.:
377.38

9 activity values

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4215653

Name:
Ethyl 2-[[[(E)-5-hydroxy-4-methyl-pent-3-enyl]-(2-naphthyloxy)phosphoryl]amShow More⌵

Mol. Formula:
C20H26NO5P

M.W.:
391.40

9 activity values