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  1. ALA4790764

    Name:
    NA

    Mol. Formula:
    C69H80F2N14O11S2

    M.W.:
    1383.62

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4761415

    Name:
    NA

    Mol. Formula:
    C69H81F3N14O12S2

    M.W.:
    1419.62

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4760531

    Name:
    NA

    Mol. Formula:
    C69H85F2N13O12S2

    M.W.:
    1390.65

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4750201

    Name:
    NA

    Mol. Formula:
    C67H84FN11O12S2

    M.W.:
    1318.61

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4646937

    Name:
    Purealidin-N

    Mol. Formula:
    C15H16Br2N4O4

    M.W.:
    476.13

    Type:
    Unknown

    AlogP:
    2.38

    Polar Surface Area:
    119.83

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  6. ALA4645637

    Name:
    Desaminopurealin

    Mol. Formula:
    C27H28Br4N6O7

    M.W.:
    868.17

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    179.75

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA4644758

    Name:
    methyl (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,Show More

    Mol. Formula:
    C11H11Br2NO5

    M.W.:
    397.02

    Type:
    Unknown

    AlogP:
    1.58

    Polar Surface Area:
    77.35

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA4643972

    Name:
    Aerophobin-2

    Mol. Formula:
    C16H19Br2N5O4

    M.W.:
    505.17

    Type:
    Unknown

    AlogP:
    1.46

    Polar Surface Area:
    134.85

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA4641805

    Name:
    (-)-aeroplysinin-1

    Mol. Formula:
    C8H7Br2NO3

    M.W.:
    324.96

    Type:
    Unknown

    AlogP:
    1.15

    Polar Surface Area:
    73.48

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  10. ALA4641518

    Name:
    Purealin

    Mol. Formula:
    C27H29Br4ClN6O7

    M.W.:
    904.63

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    179.75

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  11. ALA4641242

    Name:
    Lacunosin B

    Mol. Formula:
    C14H16Br2N2O7

    M.W.:
    484.10

    Type:
    Unknown

    AlogP:
    0.06

    Polar Surface Area:
    126.68

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  12. ALA4640724

    Name:
    (+)-aeroplysinin-1

    Mol. Formula:
    C8H7Br2NO3

    M.W.:
    324.96

    Type:
    Unknown

    AlogP:
    1.15

    Polar Surface Area:
    73.48

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA4636858

    Name:
    Lacunosin A

    Mol. Formula:
    C13H14Br2N2O6

    M.W.:
    454.07

    Type:
    Unknown

    AlogP:
    0.70

    Polar Surface Area:
    106.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA4446943

    Name:
    (R)-2-amino-N-((S)-1-(4-fluorobenzylamino)-1-oxo-3-phenylpropan-2-yl)-4-metShow More

    Mol. Formula:
    C22H28FN3O2

    M.W.:
    385.48

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    84.22

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA4212843

    Name:
    Dinghupeptin B

    Mol. Formula:
    C49H67N9O14

    M.W.:
    1006.12

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA564524

    Name:
    Aerophobin-1

    Mol. Formula:
    C15H16Br2N4O4

    M.W.:
    476.13

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    108.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA505870

    Name:
    (S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More

    Mol. Formula:
    C70H102N18O21S2

    M.W.:
    1595.83

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA526892

    Name:
    (S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More

    Mol. Formula:
    C69H102N18O19S2

    M.W.:
    1551.82

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA499386

    Name:
    (S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More

    Mol. Formula:
    C70H103N17O20S2

    M.W.:
    1566.83

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA453451

    Name:
    (S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More

    Mol. Formula:
    C71H104N18O21S2

    M.W.:
    1609.85

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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