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  1. ALA5291113

    Name:
    AMG-487-(+/-)

    Mol. Formula:
    C32H28F3N5O4

    M.W.:
    603.60

    Type:
    ---

    AlogP:
    5.81

    Polar Surface Area:
    99.44

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA5308501

    Name:
    BETAMETHASONE VALERATE

    Mol. Formula:
    C27H37FO6

    M.W.:
    476.59

    Type:
    ---

    AlogP:
    3.64

    Polar Surface Area:
    100.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA5308500

    Name:
    Capreomycin (sulfate)

    Mol. Formula:
    C25H44N14O7

    M.W.:
    652.72

    Type:
    ---

    AlogP:
    -7.00

    Polar Surface Area:
    355.69

    HBA:
    11

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA5308499

    Name:
    Oridonin (Isodonol)

    Mol. Formula:
    C20H28O6

    M.W.:
    364.44

    Type:
    ---

    AlogP:
    0.38

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA5308498

    Name:
    NAFCILLIN SODIUM

    Mol. Formula:
    C21H22N2O5S

    M.W.:
    414.48

    Type:
    ---

    AlogP:
    2.48

    Polar Surface Area:
    95.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA5308497

    Name:
    Oleanolic_acid (Caryophyllin)

    Mol. Formula:
    C30H48O3

    M.W.:
    456.71

    Type:
    ---

    AlogP:
    7.09

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA5308496

    Name:
    ifenprodil

    Mol. Formula:
    C42H54N2O4

    M.W.:
    650.90

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5308495

    Name:
    Amrubicin

    Mol. Formula:
    C25H25NO9

    M.W.:
    483.47

    Type:
    ---

    AlogP:
    0.63

    Polar Surface Area:
    176.61

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA5308494

    Name:
    ALOGLIPTIN BENZOATE

    Mol. Formula:
    C18H21N5O2

    M.W.:
    339.40

    Type:
    ---

    AlogP:
    0.39

    Polar Surface Area:
    97.05

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  10. ALA5308493

    Name:
    MONENSIN SODIUM

    Mol. Formula:
    C36H62O11

    M.W.:
    670.88

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    153.37

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA5308492

    Name:
    SPARFLOXACIN

    Mol. Formula:
    C19H22F2N4O3

    M.W.:
    392.41

    Type:
    ---

    AlogP:
    2.08

    Polar Surface Area:
    100.59

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA5308491

    Name:
    Mezlocillin Sodium

    Mol. Formula:
    C21H25N5O8S2

    M.W.:
    539.59

    Type:
    ---

    AlogP:
    -0.23

    Polar Surface Area:
    173.50

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  13. ALA5308490

    Name:
    Bismuth Subcitrate Potassium

    Mol. Formula:
    C12H8BiO14-5

    M.W.:
    585.16

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA5308489

    Name:
    Rifamycin SV sodium salt

    Mol. Formula:
    C37H47NO12

    M.W.:
    697.78

    Type:
    ---

    AlogP:
    4.75

    Polar Surface Area:
    201.31

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA5308488

    Name:
    PETCM

    Mol. Formula:
    C8H8Cl3NO

    M.W.:
    240.52

    Type:
    ---

    AlogP:
    2.36

    Polar Surface Area:
    33.12

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  16. ALA5308487

    Name:
    DMeOB

    Mol. Formula:
    C16H16N2O2

    M.W.:
    268.32

    Type:
    ---

    AlogP:
    3.48

    Polar Surface Area:
    43.18

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  17. ALA5308486

    Name:
    Moexipril Hydrochloride

    Mol. Formula:
    C27H34N2O7

    M.W.:
    498.58

    Type:
    ---

    AlogP:
    2.58

    Polar Surface Area:
    114.40

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA5308485

    Name:
    Silymarin (Silybin B)

    Mol. Formula:
    C25H22O10

    M.W.:
    482.44

    Type:
    ---

    AlogP:
    2.36

    Polar Surface Area:
    155.14

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  19. ALA5308484

    Name:
    3;3'-dichlorobenzaldazine

    Mol. Formula:
    C14H10Cl2N2

    M.W.:
    277.15

    Type:
    ---

    AlogP:
    4.77

    Polar Surface Area:
    24.72

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA5308483

    Name:
    ARSENIC TRIOXIDE DIETHANOLAMINE SALT

    Mol. Formula:
    H4As2O3

    M.W.:
    201.87

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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