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  1. ALA4483681

    Name:
    tert-Butyl (4aRS,5SR,8aSR)-4-[2-(3,4-dichloropheny
    Show More

    Mol. Formula:
    C25H35Cl2N3O3

    M.W.:
    496.48

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    53.09

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA4582146

    Name:
    2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-propyl
    Show More

    Mol. Formula:
    C23H33Cl2N3O

    M.W.:
    438.44

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA4462000

    Name:
    2-(3,4-Dichlorophenyl)-1-[(4aSR,8SR,8aSR)-4-methyl
    Show More

    Mol. Formula:
    C21H29Cl2N3O

    M.W.:
    410.39

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA4467644

    Name:
    2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-ethyl-
    Show More

    Mol. Formula:
    C22H31Cl2N3O

    M.W.:
    424.42

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA4104096

    Name:
    (5S,8S,14S)-14-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p
    Show More

    Mol. Formula:
    C40H48F3N5O9S2

    M.W.:
    863.98

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    199.95

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA4102551

    Name:
    (1R,5R,9S)-(-)-5-(3-Hydroxyphenyl)-2-(4-(trifluoro
    Show More

    Mol. Formula:
    C23H27ClF3NO2

    M.W.:
    441.92

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA4094170

    Name:
    NA

    Mol. Formula:
    C31H29NO4

    M.W.:
    479.58

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    70.00

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA4093929

    Name:
    (1S,5S,9R)-(+)-5-(3-hydroxyphenyl)-2-(4-nitrophene
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    Mol. Formula:
    C24H28N2O8

    M.W.:
    472.49

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    86.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  9. ALA4086190

    Name:
    (5S,8S,14S)-14-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p
    Show More

    Mol. Formula:
    C40H48F3N5O9S2

    M.W.:
    863.98

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    199.95

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA4086171

    Name:
    (1R,5R,9R)-(-)-5-(3-hydroxyphenyl)-2-(((1R,2S)-2-p
    Show More

    Mol. Formula:
    C26H31NO6

    M.W.:
    453.54

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  11. ALA4085431

    Name:
    (1R,5R,9S)-(-)-5-(3-Hydroxyphenyl)-2-(4-nitrophene
    Show More

    Mol. Formula:
    C24H28N2O8

    M.W.:
    472.49

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    86.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  12. ALA4073537

    Name:
    NA

    Mol. Formula:
    C32H31NO4

    M.W.:
    493.60

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    70.00

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA4078283

    Name:
    (1R,5R,9S)-(-)-2-Cinnamyl-5-(3-hydroxyphenyl)-2-az
    Show More

    Mol. Formula:
    C25H29NO6

    M.W.:
    439.51

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  14. ALA4066390

    Name:
    (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)pro
    Show More

    Mol. Formula:
    C40H48F3N5O9S2

    M.W.:
    863.98

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    199.95

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  15. ALA4064665

    Name:
    (1S,5S,9R)-(+)-2-Cinnamyl-5-(3-hydroxyphenyl)-2-az
    Show More

    Mol. Formula:
    C26H31NO6

    M.W.:
    453.54

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  16. ALA3976694

    Name:
    1-(3-((2S,5R,8R,11R)-8-(4-aminobutyl)-5-benzyl-11-
    Show More

    Mol. Formula:
    C32H46N8O5

    M.W.:
    622.77

    Type:
    Small molecule

    AlogP:
    0.14

    Polar Surface Area:
    224.55

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  17. ALA4646736

    Name:
    (2R)-6-acetamido-2-[[(2S)-2-amino-3-(4-hydroxyphen
    Show More

    Mol. Formula:
    C36H43N7O7

    M.W.:
    685.78

    Type:
    Unknown

    AlogP:
    1.75

    Polar Surface Area:
    234.67

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  18. ALA4645094

    Name:
    (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
    Show More

    Mol. Formula:
    C32H40N8O6

    M.W.:
    632.72

    Type:
    Unknown

    AlogP:
    0.23

    Polar Surface Area:
    251.68

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  19. ALA4644694

    Name:
    (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
    Show More

    Mol. Formula:
    C32H39N7O7

    M.W.:
    633.71

    Type:
    Unknown

    AlogP:
    0.41

    Polar Surface Area:
    244.90

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  20. ALA4642564

    Name:
    (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
    Show More

    Mol. Formula:
    C34H41N9O6

    M.W.:
    671.76

    Type:
    Unknown

    AlogP:
    0.71

    Polar Surface Area:
    267.47

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
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