Compounds

ALA199653

Name:
2-(1,1'-biphenyl-3-yl)-1-[dihydroxy(oxido)-lambda~
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Mol. Formula:
C14H15O6PS

M.W.:
342.31

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
111.90

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA198066

Name:
[1-Hydroxy-2-(4'-methoxy-biphenyl-4-yl)-1-phosphon
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Mol. Formula:
C15H18O8P2

M.W.:
388.25

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
144.52

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA198014

Name:
[2-(2',5'-Difluoro-biphenyl-3-yl)-1-hydroxy-1-phos
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Mol. Formula:
C14H14F2O7P2

M.W.:
394.20

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA198409

Name:
[(3-Methoxymethyl-phenylamino)-phosphono-methyl]-p
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Mol. Formula:
C9H15NO7P2

M.W.:
311.17

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
0.88

Polar Surface Area:
136.32

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA382291

Name:
[2-(Biphenyl-4-ylamino)-1-phosphono-ethyl]-phospho
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Mol. Formula:
C14H17NO6P2

M.W.:
357.24

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
127.09

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA199254

Name:
[2-(3-Dimethylaminomethyl-phenyl)-1-hydroxy-1-phos
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Mol. Formula:
C11H19NO7P2

M.W.:
339.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.29

Polar Surface Area:
138.53

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA371456

Name:
[2-(3-Bromo-phenyl)-1-hydroxy-1-phosphono-ethyl]-p
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Mol. Formula:
C8H11BrO7P2

M.W.:
361.02

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.99

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA199206

Name:
(2-Adamantan-1-yl-1-hydroxy-1-phosphono-ethyl)-pho
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Mol. Formula:
C12H22O7P2

M.W.:
340.25

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA194213

Name:
[2-(4'-Chloro-biphenyl-3-yl)-1-hydroxy-1-phosphono
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Mol. Formula:
C14H15ClO7P2

M.W.:
392.67

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA195034

Name:
[2-(3-Chloro-phenyl)-1-hydroxy-1-phosphono-ethyl]-
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Mol. Formula:
C8H11ClO7P2

M.W.:
316.57

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.88

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA450938

Name:
[(3-Nitro-phenylamino)-phosphono-methyl]-phosphoni
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Mol. Formula:
C7H10N2O8P2

M.W.:
312.11

27 activity values

19 unique targets

Type:
Small molecule

AlogP:
0.65

Polar Surface Area:
170.23

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA196254

Name:
[(3',5'-Difluoro-biphenyl-3-ylamino)-phosphono-met
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Mol. Formula:
C13H13F2NO6P2

M.W.:
379.19

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
127.09

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA195956

Name:
[1-Hydroxy-2-(4'-methoxy-biphenyl-3-yl)-1-phosphon
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Mol. Formula:
C15H18O8P2

M.W.:
388.25

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
144.52

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA196726

Name:
1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyr
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Mol. Formula:
C13H16NO7P2+

M.W.:
360.22

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.64

Polar Surface Area:
139.17

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA196676

Name:
(Biphenyl-3-yl-hydroxy-phosphono-methyl)-phosphoni
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Mol. Formula:
C13H14O7P2

M.W.:
344.20

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA425925

Name:
[2-(3-Amino-phenyl)-1-hydroxy-1-phosphono-ethyl]-p
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Mol. Formula:
C8H13NO7P2

M.W.:
297.14

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
161.31

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA381465

Name:
[2-(Biphenyl-3-ylamino)-1-phosphono-ethyl]-phospho
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Mol. Formula:
C14H17NO6P2

M.W.:
357.24

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
127.09

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA370662

Name:
[(3-Bromo-phenylamino)-phosphono-methyl]-phosphoni
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Mol. Formula:
C7H10BrNO6P2

M.W.:
346.01

46 activity values

23 unique targets

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
127.09

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA414849

Name:
[2-(2-Amino-phenyl)-1-hydroxy-1-phosphono-ethyl]-p
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Cas Number:
427899-21-6

Mol. Formula:
C8H13NO7P2

M.W.:
297.14

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
161.31

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA371263

Name:
(2-Biphenyl-4-yl-1-hydroxy-1-phosphono-ethyl)-phos
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Mol. Formula:
C14H16O7P2

M.W.:
358.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
135.29

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS