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  1. ALA5209004

    Name:
    (2S)-N-[(1S)-5-amino-1-carbamoyl-pentyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[Show More

    Mol. Formula:
    C43H57N9O9

    M.W.:
    843.98

    Type:
    ---

    AlogP:
    -0.87

    Polar Surface Area:
    301.40

    HBA:
    11

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  2. ALA5201627

    Name:
    (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentaShow More

    Mol. Formula:
    C15H24N6O3

    M.W.:
    336.40

    Type:
    ---

    AlogP:
    -1.50

    Polar Surface Area:
    180.34

    HBA:
    5

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA5197191

    Name:
    (2R)-N-[(1S)-2-[[2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]aShow More

    Mol. Formula:
    C35H45N9O7

    M.W.:
    703.80

    Type:
    ---

    AlogP:
    -1.23

    Polar Surface Area:
    287.87

    HBA:
    9

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  4. ALA5187788

    Name:
    methyl (E)-2-[(2S,3S,7aS,12aR,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,Show More

    Mol. Formula:
    C23H32N2O5

    M.W.:
    416.52

    Type:
    ---

    AlogP:
    2.50

    Polar Surface Area:
    80.26

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA5186833

    Name:
    2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guShow More

    Mol. Formula:
    C26H35N7O6

    M.W.:
    541.61

    Type:
    ---

    AlogP:
    -1.06

    Polar Surface Area:
    232.75

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA5185896

    Name:
    (2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propShow More

    Mol. Formula:
    C40H52N10O8

    M.W.:
    800.92

    Type:
    ---

    AlogP:
    -1.24

    Polar Surface Area:
    308.18

    HBA:
    10

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  7. ALA5178271

    Name:
    methyl (E)-2-[(2S,3S,7aS,12aR,12bS)-3-ethyl-9-fluoro-7a-hydroxy-8-methoxy-2Show More

    Mol. Formula:
    C23H31FN2O5

    M.W.:
    434.51

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    80.26

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA5176903

    Name:
    (2R)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S)-2-amino-3-(4-hydroxypheShow More

    Mol. Formula:
    C24H33N7O4

    M.W.:
    483.57

    Type:
    ---

    AlogP:
    -0.78

    Polar Surface Area:
    209.44

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  9. ALA5171778

    Name:
    (2S)-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-[(2S)-2-[[2-[[(2S)-2-Show More

    Mol. Formula:
    C43H57N11O10

    M.W.:
    888.00

    Type:
    ---

    AlogP:
    -2.76

    Polar Surface Area:
    357.51

    HBA:
    12

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  10. ALA4649916

    Name:
    Morphinan Cyclic Imine analogue

    Mol. Formula:
    C28H32N2O2

    M.W.:
    428.58

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    44.73

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA4561040

    Name:
    1-[(4aRS,8RS,8aSR)-4-Butyl-8-(pyrrolidin-1-yl)-3,4,4a,5,6,7,8,8aoctahydroquShow More

    Mol. Formula:
    C24H35Cl2N3O

    M.W.:
    452.47

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA4555496

    Name:
    2-(3,4-Dichlorophenyl)-1-{(4aRS,8RS,8aSR)-4-[2-(2-fluoroethoxy)acetyl]-8-(pShow More

    Mol. Formula:
    C24H32Cl2FN3O3

    M.W.:
    500.44

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    53.09

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  13. ALA4518180

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

    Mol. Formula:
    C27H35Cl2FN6O2

    M.W.:
    565.52

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    74.57

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA4463652

    Name:
    2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-{[1-(2-fluoroethyl)-1H-1,2,3-trShow More

    Mol. Formula:
    C25H33Cl2FN6O

    M.W.:
    523.48

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    57.50

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA4451876

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

    Mol. Formula:
    C24H34Cl2FN3O

    M.W.:
    470.46

    Type:
    Unknown

    AlogP:
    4.82

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA4438714

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

    Mol. Formula:
    C27H32Cl2FN3O

    M.W.:
    504.48

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA4435256

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

    Mol. Formula:
    C22H30Cl2FN3O

    M.W.:
    442.41

    Type:
    Unknown

    AlogP:
    4.04

    Polar Surface Area:
    26.79

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA4299483

    Name:
    (S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanaShow More

    Mol. Formula:
    C56H64ClF6N9O8

    M.W.:
    1140.62

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4299476

    Name:
    (S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanaShow More

    Mol. Formula:
    C56H64BrF6N9O8

    M.W.:
    1185.08

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4299466

    Name:
    (S)-1-((S)-2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamShow More

    Mol. Formula:
    C55H63F6N9O8

    M.W.:
    1092.15

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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