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  1. ALA432621

    Name:
    (S)-2-(3-Benzoylamino-2,2-dimethyl-nonanoylamino)-
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    Mol. Formula:
    C29H40N2O4

    M.W.:
    480.65

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA109601

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-hepta
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    Mol. Formula:
    C28H35N3O4

    M.W.:
    477.61

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA445116

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-5-phe
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    Mol. Formula:
    C32H35N3O4

    M.W.:
    525.65

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA109236

    Name:
    (S)-2-(3-tert-Butoxycarbonylamino-2,2-dimethyl-non
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    Mol. Formula:
    C27H44N2O5

    M.W.:
    476.66

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    93.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA320510

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta
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    Mol. Formula:
    C36H51N3O4

    M.W.:
    589.82

    Type:
    Small molecule

    AlogP:
    7.28

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  6. ALA109291

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta
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    Mol. Formula:
    C26H31N3O4

    M.W.:
    449.55

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA323480

    Name:
    (S)-2-{3-[(Furan-2-carbonyl)-amino]-2,2-dimethyl-n
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    Mol. Formula:
    C27H38N2O5

    M.W.:
    470.61

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    97.64

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA320132

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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    Mol. Formula:
    C31H41N3O4

    M.W.:
    519.69

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA111705

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
    Show More

    Mol. Formula:
    C31H41N3O4

    M.W.:
    519.69

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA320750

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2,4-trimethyl-pe
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    Mol. Formula:
    C27H33N3O4

    M.W.:
    463.58

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA110995

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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    Mol. Formula:
    C29H37N3O4

    M.W.:
    491.63

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA320712

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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    Mol. Formula:
    C32H43N3O4

    M.W.:
    533.71

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  13. ALA323355

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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    Mol. Formula:
    C35H41N3O4

    M.W.:
    567.73

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  14. ALA108294

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan
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    Mol. Formula:
    C30H39N3O4

    M.W.:
    505.66

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA111745

    Name:
    (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-undec
    Show More

    Mol. Formula:
    C32H43N3O4

    M.W.:
    533.71

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    108.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA108343

    Name:
    (S)-2-[3-(3,5-Dichloro-benzoylamino)-2,2-dimethyl-
    Show More

    Mol. Formula:
    C29H38Cl2N2O4

    M.W.:
    549.54

    Type:
    Small molecule

    AlogP:
    6.38

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  17. ALA108931

    Name:
    (S)-2-[3-(3,5-Difluoro-benzoylamino)-2,2-dimethyl-
    Show More

    Mol. Formula:
    C29H38F2N2O4

    M.W.:
    516.63

    Type:
    Small molecule

    AlogP:
    5.35

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  18. ALA13154

    Name:
    6-Chloromethyl-2-oxo-2H-chromene-3-carbothioic aci
    Show More

    Mol. Formula:
    C17H11ClO3S

    M.W.:
    330.79

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    47.28

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA13505

    Name:
    6-Chloromethyl-3-phenylacetyl-chromen-2-one

    Mol. Formula:
    C18H13ClO3

    M.W.:
    312.75

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    47.28

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA273630

    Name:
    3-Benzoyl-6-chloromethyl-chromen-2-one

    Mol. Formula:
    C17H11ClO3

    M.W.:
    298.73

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    47.28

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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