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  1. ALA3678071

    Name:
    US9045524, 96

    Mol. Formula:
    C36H42N4O10S

    M.W.:
    722.82

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    217.30

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA3678068

    Name:
    US9045524, 85

    Mol. Formula:
    C36H41N5O11S

    M.W.:
    751.82

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    247.26

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. ALA3678066

    Name:
    US9045524, 76

    Mol. Formula:
    C32H40N4O12S

    M.W.:
    704.76

    Type:
    Small molecule

    AlogP:
    0.85

    Polar Surface Area:
    254.60

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  4. ALA3673270

    Name:
    US9045524, 69

    Mol. Formula:
    C36H40N4O11S

    M.W.:
    736.80

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    234.37

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA3673265

    Name:
    US9045524, 59

    Mol. Formula:
    C28H38N4O13S

    M.W.:
    670.69

    Type:
    Small molecule

    AlogP:
    -0.24

    Polar Surface Area:
    271.67

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  6. ALA3673260

    Name:
    US9045524, 50

    Mol. Formula:
    C30H35ClN4O8S2

    M.W.:
    679.22

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    188.70

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA3673258

    Name:
    US9045524, 37

    Mol. Formula:
    C15H21NO4S

    M.W.:
    311.40

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    86.46

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  8. ALA2391759

    Name:
    cis/trans-N-(2,4-dichlorophenethyl)-2-(2-(2,4-dichlorophenethyl)-2H-1,2,3-tShow More

    Mol. Formula:
    C37H33Cl4N5O2

    M.W.:
    721.52

    Type:
    Small molecule

    AlogP:
    8.14

    Polar Surface Area:
    80.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  9. ALA2391758

    Name:
    cis/trans-1-(2,4-dichlorophenethyl)-3-(1-(2,4-dichlorophenethyl)-1H-1,2,3-tShow More

    Mol. Formula:
    C37H33Cl4N5O2

    M.W.:
    721.52

    Type:
    Small molecule

    AlogP:
    8.31

    Polar Surface Area:
    71.33

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA2391757

    Name:
    cis/trans-1-(2,4-dichlorophenethyl)-3-(1-(2,4-dichlorophenethyl)-1H-1,2,3-tShow More

    Mol. Formula:
    C37H33Cl4N5O2

    M.W.:
    721.52

    Type:
    Small molecule

    AlogP:
    8.31

    Polar Surface Area:
    71.33

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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