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  1. ALA3585733

    Name:
    (Z)-5-(3-bromo-4-hydroxybenzylidene)-4-(3,5-dibrom
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    Mol. Formula:
    C23H13Br3O6

    M.W.:
    625.06

    Type:
    Small molecule

    AlogP:
    6.52

    Polar Surface Area:
    85.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA3585732

    Name:
    (Z)-5-(3-bromo-4-hydroxybenzylidene)-4-(3-bromo-4-
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    Mol. Formula:
    C23H14Br2O6

    M.W.:
    546.17

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    85.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA2385319

    Name:
    5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoqui
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    Mol. Formula:
    C24H31FN2O4

    M.W.:
    430.52

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA2285740

    Name:
    1-isothiocyanatooctane

    Cas Number:
    4430-45-9

    Mol. Formula:
    C9H17NS

    M.W.:
    171.31

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    12.36

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA2285739

    Name:
    1-isothiocyanatoheptane

    Cas Number:
    4426-83-9

    Mol. Formula:
    C8H15NS

    M.W.:
    157.28

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    12.36

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA2160174

    Name:
    8,9-Dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a
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    Mol. Formula:
    C14H17NO3

    M.W.:
    247.29

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    38.77

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  7. ALA449627

    Name:
    kutzneride 8

    Mol. Formula:
    C37H48Cl3N7O12

    M.W.:
    889.19

    Type:
    Small molecule

    AlogP:
    -0.05

    Polar Surface Area:
    265.27

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA504428

    Name:
    kutzneride 6

    Mol. Formula:
    C37H47Cl2N7O13

    M.W.:
    868.73

    Type:
    Small molecule

    AlogP:
    -0.81

    Polar Surface Area:
    285.83

    HBA:
    14

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA444986

    Name:
    kutzneride 5

    Mol. Formula:
    C36H47Cl2N7O12

    M.W.:
    840.71

    Type:
    Small molecule

    AlogP:
    -0.65

    Polar Surface Area:
    265.27

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  10. ALA500282

    Name:
    (3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-buty
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    Mol. Formula:
    C37H47Cl2N7O12

    M.W.:
    852.73

    Type:
    Small molecule

    AlogP:
    0.22

    Polar Surface Area:
    265.60

    HBA:
    13

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA507808

    Name:
    (3S)-3-[(1S,4R,7S,12R,14S,17S,20R,23S,31R)-7-tert-
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    Mol. Formula:
    C37H48Cl3N7O12

    M.W.:
    889.19

    Type:
    Small molecule

    AlogP:
    -0.05

    Polar Surface Area:
    265.27

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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