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  1. ALA4632531

    Name:
    N-[(1S)-1-[4-[(2S)-2-(benzenesulfonamido)-3-hydroxy-propanoyl]piperazine-1-Show More

    Mol. Formula:
    C28H34N4O6S2

    M.W.:
    586.74

    Type:
    Unknown

    AlogP:
    2.06

    Polar Surface Area:
    136.12

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA504854

    Name:
    4-Deoxy-4alpha-Phorbol 12,13-didecanoate

    Mol. Formula:
    C40H64O7

    M.W.:
    656.94

    Type:
    Small molecule

    AlogP:
    8.20

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA484343

    Name:
    4alpha-phorbol diacetate

    Mol. Formula:
    C24H32O8

    M.W.:
    448.51

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA504955

    Name:
    Lumi-4alpha-Phorbol 12,13-didecanoate

    Mol. Formula:
    C40H64O7

    M.W.:
    656.94

    Type:
    Small molecule

    AlogP:
    7.58

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA451849

    Name:
    4alpha-Phorbol 12,13-dimyristate

    Mol. Formula:
    C48H80O8

    M.W.:
    785.16

    Type:
    Small molecule

    AlogP:
    10.43

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  6. ALA130626

    Name:
    4alpha-Phorbol 12,13-dinonanoate

    Mol. Formula:
    C38H60O8

    M.W.:
    644.89

    Type:
    Small molecule

    AlogP:
    6.53

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA507303

    Name:
    4alpha-Phorbol 12,13-dioctanoate

    Mol. Formula:
    C36H56O8

    M.W.:
    616.84

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. 4α-PDH

    Name:
    4alpha-Phorbol 12,13-dihexanoate

    Mol. Formula:
    C32H48O8

    M.W.:
    560.73

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA541720

    Name:
    4alpha-Phorbol 13-decanoate

    Mol. Formula:
    C30H46O7

    M.W.:
    518.69

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    124.29

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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