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  1. ALA447346

    Name:
    corymbone A

    Mol. Formula:
    C35H38O7

    M.W.:
    570.68

    Type:
    Small molecule

    AlogP:
    6.66

    Polar Surface Area:
    132.13

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA446647

    Name:
    (3bR,5aS,9aS,9bR)-3b,6,6,9a-tetramethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecShow More

    Mol. Formula:
    C20H30O

    M.W.:
    286.46

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    13.14

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  3. ALA512451

    Name:
    19,20-Dihydroxyspongia-13(16),14-diene

    Mol. Formula:
    C20H30O3

    M.W.:
    318.46

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    53.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  4. ALA466560

    Name:
    19,20-Diacetoxyspongia-13(16),14-diene

    Mol. Formula:
    C24H34O5

    M.W.:
    402.53

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    65.74

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA468803

    Name:
    19-Acetoxy-20-hydroxyspongia-13(16),14-diene

    Mol. Formula:
    C22H32O4

    M.W.:
    360.49

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    59.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  6. ALA512825

    Name:
    20-Acetoxy-19-hydroxyspongia-13(16),14-diene

    Mol. Formula:
    C22H32O4

    M.W.:
    360.49

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    59.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  7. ALA496931

    Name:
    2,4,6-trihydroxy-3methyldihydrochalcone

    Mol. Formula:
    C16H16O4

    M.W.:
    272.30

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA496930

    Name:
    corymbone B

    Mol. Formula:
    C31H38O7

    M.W.:
    522.64

    Type:
    Small molecule

    AlogP:
    6.07

    Polar Surface Area:
    132.13

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
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