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  1. ALA4850611

    Name:
    NA

    Mol. Formula:
    C39H56N2O9S

    M.W.:
    728.95

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    152.79

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  2. ALA4063381

    Name:
    (S)-4-benzyl-1-(4-((S)-2-(3-fluorobenzyl)-4,5-dihydro-1H-imidazol-4-yl)butyShow More

    Mol. Formula:
    C32H37FN4S

    M.W.:
    528.74

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    30.87

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  3. ALA3586250

    Name:
    2-(5-Butyl-5-methyl-5H-dibenzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

    Mol. Formula:
    C20H20F6OSi

    M.W.:
    418.45

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3586248

    Name:
    2-(5,5-Dimetyl-5H-dibenzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

    Mol. Formula:
    C17H14F6OSi

    M.W.:
    376.37

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA3586247

    Name:
    2-(5,5-Dibutyl-5H-dibenzosilol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

    Mol. Formula:
    C23H26F6OSi

    M.W.:
    460.53

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA3259998

    Name:
    5-Butyl-2-dodecylphenanthridin-6(5H)-one

    Mol. Formula:
    C29H41NO

    M.W.:
    419.65

    Type:
    Small molecule

    AlogP:
    8.42

    Polar Surface Area:
    22.00

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA3259997

    Name:
    5-Butyl-2-hexylphenanthridin-6(5H)-one

    Mol. Formula:
    C23H29NO

    M.W.:
    335.49

    Type:
    Small molecule

    AlogP:
    6.08

    Polar Surface Area:
    22.00

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  8. ALA3259994

    Name:
    2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenanthridin-6(5H)-one

    Mol. Formula:
    C16H9F6NO2

    M.W.:
    361.24

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. SR3335

    Name:
    N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)thiophene-2-sulfonShow More

    Mol. Formula:
    C13H9F6NO3S2

    M.W.:
    405.34

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA2385917

    Name:
    rac-Benzyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahyShow More

    Mol. Formula:
    C27H26N2O5

    M.W.:
    458.51

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA2385916

    Name:
    rac-phenethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrShow More

    Mol. Formula:
    C28H28N2O5

    M.W.:
    472.54

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA2385915

    Name:
    rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-ethyl-2-oxo-1,2,3,4-tetrahydrShow More

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  13. ALA2385914

    Name:
    rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-3,6-dimethyl-2-oxo-1,2,3,4-tetrShow More

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    77.10

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA2385913

    Name:
    rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrShow More

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    77.10

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA2385912

    Name:
    rac-5-Acetyl-4-(4-(2-chlorobenzyloxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3Show More

    Mol. Formula:
    C21H21ClN2O4

    M.W.:
    400.86

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    76.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  16. ALA2385911

    Name:
    rac-5-Acetyl-4-(4-(benzyloxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetraShow More

    Mol. Formula:
    C21H22N2O4

    M.W.:
    366.42

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    76.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  17. ALA2385910

    Name:
    rac-Ethyl 4-(4-(3-phenylpropoxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-teShow More

    Mol. Formula:
    C24H28N2O5

    M.W.:
    424.50

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA2385909

    Name:
    rac-ethyl 4-(3-methoxy-4-phenethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydrShow More

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA2385908

    Name:
    rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydShow More

    Mol. Formula:
    C22H24N2O5

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  20. ALA2385748

    Name:
    rac-ethyl 4-(2-chloro-4-(2-chlorobenzyloxy)-5-methoxyphenyl)-6-methyl-2-oxoShow More

    Mol. Formula:
    C22H22Cl2N2O5

    M.W.:
    465.33

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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