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  1. ALA5283859

    Name:
    New methylene blue

    Mol. Formula:
    C18H22ClN3S

    M.W.:
    347.92

    Type:
    ---

    AlogP:
    4.37

    Polar Surface Area:
    37.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA4098485

    Name:
    kuroshine A

    Mol. Formula:
    C30H39NO7

    M.W.:
    525.64

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    102.37

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA4097580

    Name:
    7a-hydroxykuroshine E

    Mol. Formula:
    C30H37NO8

    M.W.:
    539.63

    Type:
    Small molecule

    AlogP:
    1.80

    Polar Surface Area:
    119.44

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4097323

    Name:
    3beta-hydroxyzoanthenamide

    Mol. Formula:
    C30H39NO7

    M.W.:
    525.64

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    105.53

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4095127

    Name:
    5alpha-iodozoanthenamine

    Mol. Formula:
    C30H38INO6

    M.W.:
    635.54

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    85.30

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  6. ALA4089849

    Name:
    11beta-chloro-11-deoxykuroshine A

    Mol. Formula:
    C30H38ClNO6

    M.W.:
    544.09

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    82.14

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA4089603

    Name:
    kuroshine E

    Mol. Formula:
    C30H37NO7

    M.W.:
    523.63

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    99.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA4079551

    Name:
    5alpha-methoxykuroshine E

    Mol. Formula:
    C31H39NO8

    M.W.:
    553.65

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    108.44

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA4071456

    Name:
    18-epi-kuroshine E

    Mol. Formula:
    C30H37NO7

    M.W.:
    523.63

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    99.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA4070134

    Name:
    Zoanthenamine

    Mol. Formula:
    C30H39NO6

    M.W.:
    509.64

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    85.30

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA4068747

    Name:
    18-epi-kuroshine A

    Mol. Formula:
    C30H39NO7

    M.W.:
    525.64

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    102.37

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA4061914

    Name:
    28-deoxyzoanthenamide

    Mol. Formula:
    C30H39NO5

    M.W.:
    493.64

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    72.91

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4061475

    Name:
    kuroshine D

    Mol. Formula:
    C30H39NO8

    M.W.:
    541.64

    Type:
    Small molecule

    AlogP:
    1.59

    Polar Surface Area:
    122.60

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA3765630

    Name:
    Houpulin K

    Mol. Formula:
    C36H34O5

    M.W.:
    546.66

    Type:
    Small molecule

    AlogP:
    8.05

    Polar Surface Area:
    79.15

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA3765299

    Name:
    Houpulin E

    Mol. Formula:
    C19H18O3

    M.W.:
    294.35

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. O-1602

    Name:
    5-methyl-4-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-Show More

    Mol. Formula:
    C17H22O2

    M.W.:
    258.36

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  17. ALA3331544

    Name:
    chlorogenin 6-O-beta-D-glucopyranoside

    Mol. Formula:
    C33H54O9

    M.W.:
    594.79

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    138.07

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA3329800

    Name:
    Macaoside R

    Mol. Formula:
    C44H74O18

    M.W.:
    891.06

    Type:
    Small molecule

    AlogP:
    -0.88

    Polar Surface Area:
    276.14

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  19. ALA3329799

    Name:
    Macaoside Q

    Mol. Formula:
    C45H74O18

    M.W.:
    903.07

    Type:
    Small molecule

    AlogP:
    -0.28

    Polar Surface Area:
    272.98

    HBA:
    18

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  20. ALA3329798

    Name:
    25(R)-26-O-(beta-D-glucopyranosyl)-5-alpha-furostan-22-alpha-methoxy-3-betaShow More

    Mol. Formula:
    C45H76O18

    M.W.:
    905.09

    Type:
    Small molecule

    AlogP:
    -0.49

    Polar Surface Area:
    276.14

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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