Compounds

ALA2063259

Name:
(Z)-2-hydroxy-4-(4-(octyloxy)phenyl)-4-oxobut-2-en
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Mol. Formula:
C18H24O5

M.W.:
320.38

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2063258

Name:
(Z)-4-(3-(decyloxy)phenyl)-2-hydroxy-4-oxobut-2-en
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Mol. Formula:
C20H28O5

M.W.:
348.44

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2063257

Name:
1-(3-(decyloxy)benzyl)-1,2-dihydro-4-hydroxy-2-oxo
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Mol. Formula:
C23H31NO5

M.W.:
401.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
88.76

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2063256

Name:
1-(3-(hexyloxy)benzyl)-1,2-dihydro-4-hydroxy-2-oxo
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Mol. Formula:
C19H23NO5

M.W.:
345.40

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
88.76

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2063255

Name:
(Z)-4-((3-(3-(hexyloxy)phenyl)propyl)amino)-2-hydr
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Mol. Formula:
C19H27NO5

M.W.:
349.43

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
95.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2063254

Name:
(Z)-4-((3-([1,1'-biphenyl]-3-yl)propyl)amino)-2-hy
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Mol. Formula:
C19H19NO4

M.W.:
325.36

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2063253

Name:
(Z)-2-hydroxy-4-oxo-4-((3-(3-phenoxyphenyl)propyl)
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Mol. Formula:
C19H19NO5

M.W.:
341.36

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
95.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA495807

Name:
N-3-(3-phenoxyphenyl)propylphosphonoacetamide

Mol. Formula:
C17H20NO5P

M.W.:
349.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
84.86

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA523897

Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonomalonamide P
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Mol. Formula:
C18H18KNO4

M.W.:
351.44

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA525377

Name:
N-Hydroxy-N-[3-(4-methylbiphenyl)propyl]phosphonoa
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Mol. Formula:
C18H22NO5P

M.W.:
363.35

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
98.07

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA498628

Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonomethylsufami
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Mol. Formula:
C16H18K2NO6PS

M.W.:
461.56

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
112.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA449115

Name:
2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo
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Mol. Formula:
C18H19K2O5P

M.W.:
424.52

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
83.83

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA496803

Name:
3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas
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Mol. Formula:
C17H17K2O6P

M.W.:
426.49

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
93.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA496802

Name:
N-[4-(3-Phenoxyphenyl)butyl]phosphonoacetamide Dip
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Mol. Formula:
C18H20K2NO5P

M.W.:
439.53

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
95.86

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA496801

Name:
N-Hydroxy-2-phosphono-5-(3-phenoxyphenyl)pentamide
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Mol. Formula:
C17H18K2NO6P

M.W.:
441.50

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
116.09

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA524084

Name:
N-[2-(3-Phenoxyphenyl)ethyl]phosphonoacetamide Dip
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Mol. Formula:
C16H16K2NO5P

M.W.:
411.48

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
95.86

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA447414

Name:
N-[3-(3-Phenoxyphenyl)propyl]phosphonodimethylacet
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Mol. Formula:
C19H22K2NO5P

M.W.:
453.56

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
95.86

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA497618

Name:
N-Methyl-N-[3-(3-phenoxyphenyl)propyl]phosphonoace
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Mol. Formula:
C18H20K2NO5P

M.W.:
439.53

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
87.07

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA497410

Name:
N-[3-(3-Phenoxyphenyl)propyl]sulfoacetamide

Mol. Formula:
C17H19NO5S

M.W.:
349.41

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA497815

Name:
N-[3-(4-Biphenyl)propyl]phosphonoacetamide

Mol. Formula:
C17H20NO4P

M.W.:
333.32

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
86.63

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS