Compounds

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3422255

Name:
Sodium Hydrogen 2-((N-Hydroxy-N-methylcarbamoyl)methyl)-5-phenylpentylphospShow More⌵

Mol. Formula:
C14H21NNaO5P

M.W.:
337.29

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3422254

Name:
Sodium Hydrogen 2-((N-Hydroxy-N-methylcarbamoyl)methyl)-4-phenylbutylphosphShow More⌵

Mol. Formula:
C13H19NNaO5P

M.W.:
323.26

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3422252

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-methyl-propylphosphonic acid

Mol. Formula:
C6H14NO5P

M.W.:
211.15

Type:
Small molecule

AlogP:
0.04

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3422251

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-(3,4-dichlorophenyl)-propylphosphonic AciShow More⌵

Mol. Formula:
C11H20Cl2N3O5P

M.W.:
376.18

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3422250

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-(p-chlorophenyl)-propylphosphonic Acid BiShow More⌵

Mol. Formula:
C11H21ClN3O5P

M.W.:
341.73

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3422249

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-(4-methoxyphenyl)propylphosphonic acid

Mol. Formula:
C12H18NO6P

M.W.:
303.25

11 activity values

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
107.30

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3422248

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-p-tolyl-propylphosphonic acid

Mol. Formula:
C12H18NO5P

M.W.:
287.25

11 activity values

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3422247

Name:
3-(N-Hydroxy-N-methylcarbamoyl)-2-phenyl-propylphosphonic acid

Mol. Formula:
C11H16NO5P

M.W.:
273.23

11 activity values

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3139953

Name:
3-(N-hydroxy-4-phenylbutanamido)propylphosphonic acid

Mol. Formula:
C13H20NO5P

M.W.:
301.28

2 activity values

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2407349

Name:
3-(N-Hydroxy-2-phenylacetamido)propyl phosphonic acid

Mol. Formula:
C11H16NO5P

M.W.:
273.23

4 activity values

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2407348

Name:
3-(N-Hydroxy-2-naphthamido)propyl phosphonic acid

Mol. Formula:
C14H16NO5P

M.W.:
309.26

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2407347

Name:
3-(5-Carbamoyl-N-hydroxynicotinamido)propyl phosphonic acid

Mol. Formula:
C10H14N3O6P

M.W.:
303.21

Type:
Small molecule

AlogP:
-0.42

Polar Surface Area:
154.05

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2407346

Name:
3-(N-Hydroxynicotinamido)propyl phosphonic acid

Mol. Formula:
C9H13N2O5P

M.W.:
260.19

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
110.96

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2407196

Name:
3-(N-Hydroxyfuran-2-carboxamido)propyl phosphonic acid

Mol. Formula:
C8H12NO6P

M.W.:
249.16

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
111.21

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2407195

Name:
3-(N-Hydroxypropionamido)propyl phosphonic acid

Mol. Formula:
C6H14NO5P

M.W.:
211.15

Type:
Small molecule

AlogP:
0.18

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1823400

Name:
2-(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)ethylphosphonic acid

Mol. Formula:
C7H10NO5P

M.W.:
219.13

3 activity values

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
99.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1823399

Name:
3-(2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)propylphosphonic acid

Mol. Formula:
C9H11N2O5P

M.W.:
258.17

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
105.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1823398

Name:
3-(2-oxo-6-phenyloxazolo[4,5-b]pyridin-3(2H)-yl)propylphosphonic acid

Mol. Formula:
C15H15N2O5P

M.W.:
334.27

2 activity values

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
105.56

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1823397

Name:
3-(6-bromo-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)propylphosphonic acid

Mol. Formula:
C9H10BrN2O5P

M.W.:
337.07