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  1. ALA3335132

    Name:
    Alterporriol R

    Mol. Formula:
    C32H22O10

    M.W.:
    566.52

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    167.66

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA3335131

    Name:
    Alterporriol N

    Mol. Formula:
    C32H30O14

    M.W.:
    638.58

    Type:
    Small molecule

    AlogP:
    -0.11

    Polar Surface Area:
    248.58

    HBA:
    14

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  3. ALA3335045

    Name:
    Alterporriol T

    Mol. Formula:
    C32H30O13

    M.W.:
    622.58

    Type:
    Small molecule

    AlogP:
    0.92

    Polar Surface Area:
    228.35

    HBA:
    13

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  4. ALA507349

    Name:
    4,4'-(di-O-glycinoyl) curcumin

    Mol. Formula:
    C25H26N2O8

    M.W.:
    482.49

    Type:
    Small molecule

    AlogP:
    1.69

    Polar Surface Area:
    157.24

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA455159

    Name:
    4,4'-(di-O-valinoyl)curcumin

    Mol. Formula:
    C31H38N2O8

    M.W.:
    566.65

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    157.24

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. ALA444980

    Name:
    4,4'-(di-O-glutamoyl)-curcumin

    Mol. Formula:
    C31H34N2O12

    M.W.:
    626.62

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    231.84

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA507378

    Name:
    demethylenated piperic acid

    Mol. Formula:
    C11H10O4

    M.W.:
    206.20

    Type:
    Small molecule

    AlogP:
    1.75

    Polar Surface Area:
    77.76

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA452316

    Name:
    monovalinoyl curcumin

    Mol. Formula:
    C26H29NO7

    M.W.:
    467.52

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    125.15

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
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