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  1. ALA3342632

    Name:
    palmarumycin C8

    Mol. Formula:
    C20H13ClO6

    M.W.:
    384.77

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    85.36

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA3342631

    Name:
    1,4,7beta-trihydroxy-8(spirodioxy-1',8'-naphthyl)-7,8-dihydronaphthalene

    Mol. Formula:
    C20H14O5

    M.W.:
    334.33

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    79.15

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA3342630

    Name:
    cladospirone B

    Mol. Formula:
    C20H14O6

    M.W.:
    350.33

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  4. ALA3342629

    Name:
    palmarumycin C12

    Mol. Formula:
    C20H14O6

    M.W.:
    350.33

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    91.68

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA2370470

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C69H114N18O16

    M.W.:
    1451.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA2370469

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C69H114N18O16

    M.W.:
    1451.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA442496

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C63H111N17O14

    M.W.:
    1330.69

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA406426

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C57H96Cl2N16O14

    M.W.:
    1300.40

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA411625

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C57H98N16O15

    M.W.:
    1247.51

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA444362

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C64H112N16O14

    M.W.:
    1329.70

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA262220

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C61H108N18O14

    M.W.:
    1317.65

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA216810

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C64H105N17O15

    M.W.:
    1352.65

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA408522

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C61H107N21O16

    M.W.:
    1390.66

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA410412

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C60H105N17O14S

    M.W.:
    1320.67

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA384253

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C58H101N17O14S

    M.W.:
    1292.62

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA414989

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C55H96N16O13

    M.W.:
    1189.47

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA408523

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C61H108N20O14

    M.W.:
    1345.66

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA384952

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C57H100N16O13

    M.W.:
    1217.53

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA414493

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C57H99N17O14

    M.W.:
    1246.52

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA268928

    Name:
    Polymyxin B analogue

    Mol. Formula:
    C57H98N16O14

    M.W.:
    1231.51

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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