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  1. ALA4776808

    Name:
    (2S,5S,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)
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    Mol. Formula:
    C28H37N5O6

    M.W.:
    539.63

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    182.88

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA4754992

    Name:
    (2S,5S,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)
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    Mol. Formula:
    C28H36N4O8

    M.W.:
    556.62

    Type:
    Unknown

    AlogP:
    0.26

    Polar Surface Area:
    197.15

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  3. ALA4476666

    Name:
    (E)-Methyl 2-((1'S,6'S,7'S,8a'S)-1-benzyl-6'-ethyl
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    Mol. Formula:
    C30H36N2O5

    M.W.:
    504.63

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    68.31

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA4459868

    Name:
    (E)-Methyl 2-((1'S,6'S,7'S,8a'S)-6'-ethyl-4-methox
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    Mol. Formula:
    C24H32N2O5

    M.W.:
    428.53

    Type:
    Unknown

    AlogP:
    2.89

    Polar Surface Area:
    68.31

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  5. ALA4174890

    Name:
    (R)-N-((S)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-te
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    Mol. Formula:
    C28H38N8O5

    M.W.:
    566.66

    Type:
    Small molecule

    AlogP:
    -0.81

    Polar Surface Area:
    229.75

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA4173234

    Name:
    (S)-2-amino-N-((R)-1-((S)-4-(2-amino-2-oxoethyl)-3
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    Mol. Formula:
    C30H35N5O5

    M.W.:
    545.64

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    167.85

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA4169811

    Name:
    (S)-2-amino-N-((R)-1-((S)-2-(2-amino-2-oxoethyl)-3
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    Mol. Formula:
    C30H35N5O5

    M.W.:
    545.64

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    167.85

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4166388

    Name:
    (S)-2-amino-N-((R)-1-((S)-4-(2-amino-2-oxoethyl)-3
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    Mol. Formula:
    C31H37N5O5

    M.W.:
    559.67

    Type:
    Small molecule

    AlogP:
    1.43

    Polar Surface Area:
    159.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA4165323

    Name:
    (R)-N-((S)-4-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te
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    Mol. Formula:
    C33H42N8O5

    M.W.:
    630.75

    Type:
    Small molecule

    AlogP:
    0.34

    Polar Surface Area:
    229.75

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  10. ALA4164236

    Name:
    (R)-N-((S)-2-(2-amino-2-oxoethyl)-8-bromo-3-oxo-2,
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    Mol. Formula:
    C29H39BrN8O5

    M.W.:
    659.59

    Type:
    Small molecule

    AlogP:
    -0.06

    Polar Surface Area:
    229.75

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  11. ALA4161890

    Name:
    (R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te
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    Mol. Formula:
    C33H42N8O5

    M.W.:
    630.75

    Type:
    Small molecule

    AlogP:
    0.34

    Polar Surface Area:
    229.75

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  12. ALA3622715

    Name:
    8alpha-H-2beta-Allyl-2alpha-methoxymethyl-salvinor
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    Mol. Formula:
    C26H34O7

    M.W.:
    458.55

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA3622714

    Name:
    8beta-H-2beta-Allyl-2alpha-methoxymethyl-salvinori
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    Mol. Formula:
    C26H34O7

    M.W.:
    458.55

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA3622711

    Name:
    8beta-H-2beta-Ethyl-2alpha-methoxymethyl-salvinori
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    Mol. Formula:
    C25H34O7

    M.W.:
    446.54

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  15. ALA3622710

    Name:
    8alpha-H-2beta-Ethyl-2alpha-methoxymethyl-salvinor
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    Mol. Formula:
    C25H34O7

    M.W.:
    446.54

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA3613172

    Name:
    N-[(2S,4aS,7aR,12aR,14R)-5-(cyclopropylmethyl)-9-h
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    Mol. Formula:
    C32H41ClN2O2

    M.W.:
    521.15

    Type:
    Small molecule

    AlogP:
    5.32

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA3613171

    Name:
    (E)-N-[(2S,4aS,7aR,12aR,14R)-5-(cyclopropylmethyl)
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    Mol. Formula:
    C30H37ClN2O3

    M.W.:
    509.09

    Type:
    Small molecule

    AlogP:
    4.99

    Polar Surface Area:
    56.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA3613170

    Name:
    N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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    Mol. Formula:
    C30H35ClN2O2

    M.W.:
    491.08

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA3613169

    Name:
    N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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    Mol. Formula:
    C41H52N2O6S

    M.W.:
    700.94

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA3613168

    Name:
    N-[(2S,4aS,7aR,12aR,14S)-5-(cyclopropylmethyl)-9-h
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    Mol. Formula:
    C42H54N2O6S

    M.W.:
    714.97

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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