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  1. ALA5277232

    Name:
    (3-acetamidopropyl)phosphonic acid

    Mol. Formula:
    C5H12NO4P

    M.W.:
    181.13

    Type:
    ---

    AlogP:
    -0.31

    Polar Surface Area:
    86.63

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA5274427

    Name:
    5-(hydroxy(methyl)amino)-5-oxopentanoic acid

    Mol. Formula:
    C6H11NO4

    M.W.:
    161.16

    Type:
    ---

    AlogP:
    0.09

    Polar Surface Area:
    77.84

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA3342264

    Name:
    5-[Hydroxy(methyl)amino]-5-oxo-1-phenylpentylphosphonic acid

    Mol. Formula:
    C12H18NO5P

    M.W.:
    287.25

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    98.07

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA3342263

    Name:
    [2-(Hydroxyamino)-2-oxoethoxy](4-methoxyphenyl)methylphosphonic acid

    Mol. Formula:
    C10H14NO7P

    M.W.:
    291.20

    Type:
    Small molecule

    AlogP:
    0.39

    Polar Surface Area:
    125.32

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA3342262

    Name:
    {2-[Hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methylphosphonic aciShow More

    Mol. Formula:
    C11H16NO7P

    M.W.:
    305.22

    Type:
    Small molecule

    AlogP:
    0.74

    Polar Surface Area:
    116.53

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA3342261

    Name:
    1-(3,4-Dimethoxyphenyl)-4-(hydroxyamino)-4-oxobutylphosphonic acid

    Mol. Formula:
    C12H18NO7P

    M.W.:
    319.25

    Type:
    Small molecule

    AlogP:
    1.21

    Polar Surface Area:
    125.32

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA3342260

    Name:
    1-(3,4-Dimethoxyphenyl)-4-[hydroxy(methyl)amino]-4-oxobutylphosphonic acid

    Mol. Formula:
    C13H20NO7P

    M.W.:
    333.28

    Type:
    Small molecule

    AlogP:
    1.55

    Polar Surface Area:
    116.53

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA3342259

    Name:
    4-(Hydroxyamino)-1-(4-methoxyphenyl)-4-oxobutylphosphonic acid

    Mol. Formula:
    C11H16NO6P

    M.W.:
    289.22

    Type:
    Small molecule

    AlogP:
    1.20

    Polar Surface Area:
    116.09

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA3341763

    Name:
    4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutylphosphonic acid

    Mol. Formula:
    C12H18NO6P

    M.W.:
    303.25

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    107.30

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA3342258

    Name:
    4-(Hydroxyamino)-4-oxo-1-p-tolylbutylphosphonic acid

    Mol. Formula:
    C11H16NO5P

    M.W.:
    273.23

    Type:
    Small molecule

    AlogP:
    1.50

    Polar Surface Area:
    106.86

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA3309763

    Name:
    (Z)-2-(5-(3,4-Dihydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-hydroShow More

    Mol. Formula:
    C12H10N2O5S2

    M.W.:
    326.36

    Type:
    Small molecule

    AlogP:
    0.80

    Polar Surface Area:
    110.10

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  12. ALA3309762

    Name:
    (Z)-N-(4-(4-Chlorophenoxy)phenyl)-2-(5-(2,4-dihydroxybenzylidene)-4-oxo-2-tShow More

    Mol. Formula:
    C24H17ClN2O5S2

    M.W.:
    513.00

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    99.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA3309761

    Name:
    (Z)-N-(4-(4-Chlorophenoxy)phenyl)-2-(5-(2,3-dihydroxybenzylidene)-4-oxo-2-tShow More

    Mol. Formula:
    C24H17ClN2O5S2

    M.W.:
    513.00

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    99.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA3309760

    Name:
    (Z)-2-(5-(2,3-Dihydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-(pShow More

    Mol. Formula:
    C25H20N2O5S2

    M.W.:
    492.58

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    99.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  15. ALA3309759

    Name:
    (Z)-N-(4-(4-Chlorophenoxy)phenyl)-2-(5-(3,4-dihydroxybenzylidene)-4-oxo-2-tShow More

    Mol. Formula:
    C24H17ClN2O5S2

    M.W.:
    513.00

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    99.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. ALA3309758

    Name:
    (Z)-2-(5-(3,4-Dihydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-(pShow More

    Mol. Formula:
    C25H20N2O5S2

    M.W.:
    492.58

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    99.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  17. (Pyridin-3-ylmethyl)phosphonic Acid

    Name:
    Pyridin-3-ylmethylphosphonic acid

    Mol. Formula:
    C6H8NO3P

    M.W.:
    173.11

    Type:
    Small molecule

    AlogP:
    0.76

    Polar Surface Area:
    70.42

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA1651840

    Name:
    Pyridin-4-ylmethylphosphonic acid

    Mol. Formula:
    C6H8NO3P

    M.W.:
    173.11

    Type:
    Small molecule

    AlogP:
    0.76

    Polar Surface Area:
    70.42

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA1651839

    Name:
    N-Hydroxyl-N-[3-(pyridin-4-yl)propyl]formamide

    Mol. Formula:
    C9H12N2O2

    M.W.:
    180.21

    Type:
    Small molecule

    AlogP:
    0.86

    Polar Surface Area:
    53.43

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA1651838

    Name:
    (3,4-Dichlorophenyl)methylphosphonic acid

    Mol. Formula:
    C7H7Cl2O3P

    M.W.:
    241.01

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    57.53

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
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