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  1. ALA2374062

    Name:
    SID50106775

    Mol. Formula:
    C30H34O13

    M.W.:
    602.59

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1590722

    Name:
    SID50106680

    Mol. Formula:
    C9H24Cl3N3

    M.W.:
    280.67

    Type:
    Small molecule

    AlogP:
    0.19

    Polar Surface Area:
    64.07

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. dehydroepiandrosterone sulfate sodium salt

    Name:
    SID50106150

    Mol. Formula:
    C19H27NaO5S

    M.W.:
    390.48

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    80.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA1453308

    Name:
    SID50106594

    Mol. Formula:
    C6H14ClO5P

    M.W.:
    232.60

    Type:
    Small molecule

    AlogP:
    0.67

    Polar Surface Area:
    94.83

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. PMBA

    Name:
    SID50106906

    Mol. Formula:
    C16H18NO5P

    M.W.:
    335.30

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    120.85

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  6. ALA1407852

    Name:
    SID50106668

    Mol. Formula:
    C13H15NaO3

    M.W.:
    242.25

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  7. ALA143324

    Name:
    SID50106626

    Mol. Formula:
    C5H12N2O3S

    M.W.:
    180.23

    Type:
    Small molecule

    AlogP:
    -0.54

    Polar Surface Area:
    104.24

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA18238

    Name:
    SID50106651

    Mol. Formula:
    C18H21N5O4

    M.W.:
    371.40

    Type:
    Small molecule

    AlogP:
    0.36

    Polar Surface Area:
    125.55

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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