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  1. ALA4099755

    Name:
    1-{3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yloxy)-propoxyl-phenyShow More

    Mol. Formula:
    C23H30ClN5O3

    M.W.:
    459.98

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    115.53

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. 1,3-Diphenyl-2-propanone

    Name:
    1,3-diphenylpropan-2-one

    Mol. Formula:
    C15H14O

    M.W.:
    210.28

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA3392630

    Name:
    SID124894491

    Mol. Formula:
    C19H15ClFN3O3S

    M.W.:
    419.87

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA3392627

    Name:
    SID124894517

    Mol. Formula:
    C21H20ClN3O4S

    M.W.:
    445.93

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA3392624

    Name:
    SID124894493

    Mol. Formula:
    C19H15ClFN3O3S

    M.W.:
    419.87

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA3392615

    Name:
    SID124894503

    Mol. Formula:
    C20H17ClFN3O4S

    M.W.:
    449.89

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA3392605

    Name:
    SID124894489

    Mol. Formula:
    C18H13ClFN3O3S

    M.W.:
    405.84

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  8. ALA3392597

    Name:
    SID124894499

    Mol. Formula:
    C22H15ClFN3O3S

    M.W.:
    455.90

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  9. ALA3392594

    Name:
    SID124894485

    Mol. Formula:
    C20H17ClFN3O4S

    M.W.:
    449.89

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA3392580

    Name:
    SID50112028

    Mol. Formula:
    C16H21NO4S

    M.W.:
    323.41

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    74.68

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  11. ALA3392569

    Name:
    SID124894487

    Mol. Formula:
    C21H20ClN3O4S

    M.W.:
    445.93

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA3392566

    Name:
    SID50112160

    Mol. Formula:
    C26H26N2O4S

    M.W.:
    462.57

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  13. ALA3392564

    Name:
    SID124894515

    Mol. Formula:
    C19H13ClF3N3O4S

    M.W.:
    471.84

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  14. ALA3392562

    Name:
    SID124894600

    Mol. Formula:
    C19H23ClN4O4S2

    M.W.:
    471.00

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    118.12

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  15. ALA3392560

    Name:
    SID124894507

    Mol. Formula:
    C20H17ClFN3O5S

    M.W.:
    465.89

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    107.48

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  16. ALA3392559

    Name:
    SID124894495

    Mol. Formula:
    C20H17ClFN3O3S

    M.W.:
    433.89

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA3392553

    Name:
    SID124894505

    Mol. Formula:
    C20H17ClFN3O3S

    M.W.:
    433.89

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA3392365

    Name:
    SID124897942

    Mol. Formula:
    C20H27NO6S

    M.W.:
    409.50

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    111.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA3392351

    Name:
    SID50112086

    Mol. Formula:
    C31H35N3O3S

    M.W.:
    529.71

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    69.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA3392349

    Name:
    SID124894511

    Mol. Formula:
    C20H18ClN3O4S

    M.W.:
    431.90

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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