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  1. ALA5314365

    Name:
    Monensin sodium

    Mol. Formula:
    C36H61NaO11

    M.W.:
    692.86

    Type:
    Small molecule

    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
  2. ALA5314349

    Name:
    sevelamer

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5314346

    Name:
    VERTEPORFIN

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. Calcium hydride

    Name:
    CALCIUM

    Mol. Formula:
    H2Ca

    M.W.:
    42.09

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4243974

    Name:
    OSI-461

    Mol. Formula:
    C25H22ClFN2O

    M.W.:
    420.92

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  6. ALA3833041

    Name:
    Lecithin

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA3559671

    Name:
    Polyvinyl alcohol

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA3545985

    Name:
    benzphetamine

    Mol. Formula:
    C17H21N

    M.W.:
    239.36

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  9. ALA3544971

    Name:
    Dextroamphetamine Sulfate

    Mol. Formula:
    C18H28N2O4S

    M.W.:
    368.50

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    26.02

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  10. Azatadine dimaleate

    Name:
    Azatadine Maleate

    Mol. Formula:
    C28H30N2O8

    M.W.:
    522.55

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    16.13

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. Trospium chloride

    Name:
    TROSPIUM CHLORIDE

    Mol. Formula:
    C25H30ClNO3

    M.W.:
    427.97

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  12. Ergotamine bitartrate

    Name:
    Ergotamine l-Tartrate

    Mol. Formula:
    C70H76N10O16

    M.W.:
    1313.43

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    118.21

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA2448537

    Name:
    Methylcobalamin

    Mol. Formula:
    C63H92CoN13O14P-

    M.W.:
    1345.41

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA2375172

    Name:
    Vitamin B12

    Mol. Formula:
    C63H89CoN14O14P-

    M.W.:
    1356.40

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA2354773

    Name:
    Aurothioglucose

    Mol. Formula:
    C6H11AuO5S

    M.W.:
    392.18

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA2303614

    Name:
    Chondroitin sulfate

    Mol. Formula:
    C19H33NO14S

    M.W.:
    531.53

    Type:
    Small molecule

    AlogP:
    -4.44

    Polar Surface Area:
    249.61

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. Erythromycin 2'-Propionate

    Name:
    Erythromycin propionate

    Mol. Formula:
    C40H71NO14

    M.W.:
    790.00

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    199.98

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. Capreomycini sulfas

    Name:
    Capreomycin Sulfate

    Mol. Formula:
    C50H92N28O23S2

    M.W.:
    1517.59

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. nabilone

    Name:
    Nabilone

    Mol. Formula:
    C24H36O3

    M.W.:
    372.55

    Type:
    Small molecule

    AlogP:
    6.26

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. Erythromycin estolate

    Name:
    Erythromycin estolate

    Mol. Formula:
    C52H97NO18S

    M.W.:
    1056.40

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    199.98

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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