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  1. ALA4576261

    Name:
    Urundeuvine F

    Mol. Formula:
    C30H24O9

    M.W.:
    528.51

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    175.75

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. ALA4462944

    Name:
    Urundeuvine D

    Mol. Formula:
    C30H22O9

    M.W.:
    526.50

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    164.75

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  3. ALA4438688

    Name:
    Urundeuvine E

    Mol. Formula:
    C30H24O10

    M.W.:
    544.51

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    195.98

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  4. ALA3648413

    Name:
    US8552202, Compound 15

    Mol. Formula:
    C25H29FN4O4

    M.W.:
    468.53

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    93.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA3648412

    Name:
    US8552202, Compound 14

    Mol. Formula:
    C24H27ClN4O4

    M.W.:
    470.96

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    93.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA3648397

    Name:
    US8552202, Compound 2

    Mol. Formula:
    C21H25FN2O4

    M.W.:
    388.44

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  7. ALA3648396

    Name:
    US8552202, Compound 1

    Mol. Formula:
    C21H26N2O4

    M.W.:
    370.45

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  8. ALA1684178

    Name:
    1-[dibromo(butyl)-{4}-selanyl]-2-[(1R)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Br2OSe

    M.W.:
    431.07

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1684177

    Name:
    1-[dibromo(butyl)-{4}-selanyl]-2-[(1S)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Br2OSe

    M.W.:
    431.07

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1684176

    Name:
    1-[dibromo(butyl)-{4}-selanyl]-2-(methoxymethyl)benzene

    Mol. Formula:
    C12H18Br2OSe

    M.W.:
    417.04

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1684175

    Name:
    1-(butyldichloro-{4}-selanyl)-2-[(1R)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Cl2OSe

    M.W.:
    342.17

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA1684174

    Name:
    1-(butyldichloro-{4}-selanyl)-2-[(1S)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Cl2OSe

    M.W.:
    342.17

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1684173

    Name:
    1-(butyldichloro-{4}-selanyl)-2-(methoxymethyl)benzene

    Mol. Formula:
    C12H18Cl2OSe

    M.W.:
    328.14

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA1684172

    Name:
    1-[dibromo(butyl)-{4}-tellanyl]-2-[(1R)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Br2OTe

    M.W.:
    479.71

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1684171

    Name:
    1-[dibromo(butyl)-{4}-tellanyl]-2-[(1S)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Br2OTe

    M.W.:
    479.71

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1684170

    Name:
    1-[dibromo(butyl)-{4}-tellanyl]-2-(methoxymethyl)benzene

    Mol. Formula:
    C12H18Br2OTe

    M.W.:
    465.68

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1684169

    Name:
    1-(butyldichloro-{4}-tellanyl)-2-[(1R)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Cl2OTe

    M.W.:
    390.81

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1684168

    Name:
    1-(butyldichloro-{4}-tellanyl)-2-[(1S)-1-methoxyethyl]benzene

    Mol. Formula:
    C13H20Cl2OTe

    M.W.:
    390.81

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA1684167

    Name:
    1-(butyldichloro-{4}-tellanyl)-2-(methoxymethyl)benzene

    Mol. Formula:
    C12H18Cl2OTe

    M.W.:
    376.78

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA1668602

    Name:
    3,4-dihydro-3,5,8-trihydroxy-6-methoxy-2,2,7-trimethyl-2Hpyrano[2,3-a]acridShow More

    Mol. Formula:
    C20H21NO6

    M.W.:
    371.39

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    101.15

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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