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  1. ALA4533105

    Name:
    Penicianstinoid B

    Mol. Formula:
    C25H28O9

    M.W.:
    472.49

    Type:
    Unknown

    AlogP:
    0.88

    Polar Surface Area:
    128.59

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA4529113

    Name:
    Peniciisocoumarin D

    Mol. Formula:
    C15H18O5

    M.W.:
    278.30

    Type:
    Unknown

    AlogP:
    2.24

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  3. ALA4468852

    Name:
    Peniciisocoumarin C

    Mol. Formula:
    C13H16O5

    M.W.:
    252.27

    Type:
    Unknown

    AlogP:
    1.25

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA4458558

    Name:
    Peniciisocoumarin A

    Mol. Formula:
    C14H22O5

    M.W.:
    270.32

    Type:
    Unknown

    AlogP:
    1.44

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA4442629

    Name:
    Peniciisocoumarin B

    Mol. Formula:
    C14H20O5

    M.W.:
    268.31

    Type:
    Unknown

    AlogP:
    1.64

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA4436949

    Name:
    Penicianstinoid A

    Mol. Formula:
    C31H36O12

    M.W.:
    600.62

    Type:
    Unknown

    AlogP:
    2.20

    Polar Surface Area:
    157.80

    HBA:
    12

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA4292080

    Name:
    Penicilindole A

    Mol. Formula:
    C28H41NO2

    M.W.:
    423.64

    Type:
    Small molecule

    AlogP:
    6.40

    Polar Surface Area:
    56.25

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA4280765

    Name:
    Penicilindole B

    Mol. Formula:
    C28H39NO2

    M.W.:
    421.63

    Type:
    Small molecule

    AlogP:
    6.61

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA460439

    Name:
    (3Z,6Z)-3,6,9-decatrienyl sulfate

    Mol. Formula:
    C10H16O4S

    M.W.:
    232.30

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. ALA460438

    Name:
    (4Z,7E)-4,7-decadienyl sulfate

    Mol. Formula:
    C10H18O4S

    M.W.:
    234.32

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA460230

    Name:
    (4Z,7Z)-4,7-decadienyl sulfate

    Mol. Formula:
    C10H18O4S

    M.W.:
    234.32

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  12. ALA445873

    Name:
    2,6-dimethylheptylsulfate

    Mol. Formula:
    C9H20O4S

    M.W.:
    224.32

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
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