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  1. ALA1602575

    Name:
    SID22412291

    Mol. Formula:
    C20H23N3O3

    M.W.:
    353.42

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    61.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  2. ALA1598733

    Name:
    SID49674578

    Mol. Formula:
    C20H24N4O5S

    M.W.:
    432.50

    Type:
    Small molecule

    AlogP:
    2.20

    Polar Surface Area:
    135.64

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA1598404

    Name:
    SID26727647

    Mol. Formula:
    C12H14N2O4

    M.W.:
    250.25

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    66.61

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  4. ALA3391731

    Name:
    SID85201810

    Mol. Formula:
    C48H80O18

    M.W.:
    945.15

    Type:
    Small molecule

    AlogP:
    0.18

    Polar Surface Area:
    294.98

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA3391723

    Name:
    SID85305116

    Cas Number:
    10459-27-5

    Mol. Formula:
    C19H30O3

    M.W.:
    306.45

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA3391722

    Name:
    SID85302079

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA3391715

    Name:
    SID85302056

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  8. ALA3214414

    Name:
    SID17505618

    Cas Number:
    307509-97-3

    Mol. Formula:
    C13H15N3OS

    M.W.:
    261.35

    Type:
    Small molecule

    AlogP:
    2.17

    Polar Surface Area:
    46.39

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA3214360

    Name:
    SID22401188

    Mol. Formula:
    C12H16N2O3

    M.W.:
    236.27

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    54.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  10. ALA3214248

    Name:
    SID49823086

    Mol. Formula:
    C16H16Cl2N2O4S2

    M.W.:
    435.35

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    76.04

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA3214146

    Name:
    SID24810043

    Mol. Formula:
    C13H14F3N3O2

    M.W.:
    301.27

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA3214135

    Name:
    SID17409106

    Mol. Formula:
    C12H10N2O3S

    M.W.:
    262.29

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    81.92

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA3213890

    Name:
    SID26659327

    Cas Number:
    294852-42-9

    Mol. Formula:
    C9H9N5O

    M.W.:
    203.21

    Type:
    Small molecule

    AlogP:
    1.10

    Polar Surface Area:
    89.33

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  14. ALA3213528

    Name:
    SID24814822

    Cas Number:
    325472-91-1

    Mol. Formula:
    C16H14BrNO

    M.W.:
    316.20

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  15. ALA3213490

    Name:
    SID24779180

    Cas Number:
    851716-78-4

    Mol. Formula:
    C20H20N4O7S2

    M.W.:
    492.54

    Type:
    Small molecule

    AlogP:
    1.76

    Polar Surface Area:
    142.09

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA3213397

    Name:
    SID17510475

    Mol. Formula:
    C15H18N2O3

    M.W.:
    274.32

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    71.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA3213379

    Name:
    SID49827282

    Mol. Formula:
    C14H16Cl2N2O

    M.W.:
    299.20

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    41.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  18. ALA3213244

    Name:
    SID24815431

    Cas Number:
    868375-93-3

    Mol. Formula:
    C17H15FN2O2S

    M.W.:
    330.38

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    43.59

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  19. ALA3213191

    Name:
    SID49647815

    Cas Number:
    319489-16-2

    Mol. Formula:
    C9H10N6O

    M.W.:
    218.22

    Type:
    Small molecule

    AlogP:
    0.15

    Polar Surface Area:
    91.21

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  20. ALA3213189

    Name:
    SID49824606

    Mol. Formula:
    C19H18N8O3S

    M.W.:
    438.47

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    146.34

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
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